(1S)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(2S)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;(2R)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]cyclopentyl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid

C159H207N17O14 — CID 157242337

About (1S)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(2S)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;(2R)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]cyclopentyl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid

(1S)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(2S)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;(2R)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]cyclopentyl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid (PubChem CID 157242337) has the molecular formula C159H207N17O14 and a molecular weight of 2580.51 g/mol. Its IUPAC name is (1S)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(2S)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;(2R)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]cyclopentyl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid.

Molecular Properties

• Compound Name: (1S)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(2S)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;(2R)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]cyclopentyl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid
• PubChem CID: 157242337
• Molecular Formula: C159H207N17O14
• Molecular Weight: 2580.51 g/mol
• Exact Mass: 2578.60
• IUPAC Name: (1S)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(2S)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;(2R)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]cyclopentyl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid
• SMILES: CC(=O)[C@@H](c1ccccc1)N1CCC(OCCCCc2ccc3c(n2)NCCC3)CC1.CC(=O)[C@H](c1ccccc1)N1CCC(OCCCCc2ccc3c(n2)NCCC3)CC1.O=C(NCCCc1ccc2c(n1)CCCC2)[C@@H]1CCC([C@H](C(=O)O)c2ccccc2)C1.O=C(NCCCc1ccc2c(n1)CCCC2)[C@@H]1CCN([C@@H](C(=O)O)c2ccccc2)C1.O=C(O)[C@@H](c1ccccc1)N1CCC(N2CCC(Cc3ccc4c(n3)CCCC4)CC2)CC1.O=C(O)[C@H](c1ccccc1)N1CCC(N2CCC(Cc3ccc4c(n3)CCCC4)CC2)CC1
• InChI: InChI=1S/2C28H37N3O2.2C26H35N3O2.C26H32N2O3.C25H31N3O3/c2*32-28(33)27(23-7-2-1-3-8-23)31-18-14-25(15-19-31)30-16-12-21(13-17-30)20-24-11-10-22-6-4-5-9-26(22)29-24;2*1-20(30)25(21-8-3-2-4-9-21)29-17-14-24(15-18-29)31-19-6-5-11-23-13-12-22-10-7-16-27-26(22)28-23;29-25(27-16-6-10-22-15-14-18-7-4-5-11-23(18)28-22)21-13-12-20(17-21)24(26(30)31)19-8-2-1-3-9-19;29-24(26-15-6-10-21-13-12-18-7-4-5-11-22(18)27-21)20-14-16-28(17-20)23(25(30)31)19-8-2-1-3-9-19/h2*1-3,7-8,10-11,21,25,27H,4-6,9,12-20H2,(H,32,33);2*2-4,8-9,12-13,24-25H,5-7,10-11,14-19H2,1H3,(H,27,28);1-3,8-9,14-15,20-21,24H,4-7,10-13,16-17H2,(H,27,29)(H,30,31);1-3,8-9,12-13,20,23H,4-7,10-11,14-17H2,(H,26,29)(H,30,31)/t2*27-;2*25-;20?,21-,24-;20-,23-/m101011/s1
• InChIKey: AVIWZNRCNZEEBH-VKNOAISMSA-N
• XLogP: 25.61
• TPSA: 384.08 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 46
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2580.51
LogP ≤ 5	25.61
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1S)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(2S)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;(2R)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]cyclopentyl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid?

The IUPAC name of (1S)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(2S)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;(2R)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]cyclopentyl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid (CID 157242337) is (1S)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(2S)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;(2R)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]cyclopentyl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid.

What is the SMILES notation for (1S)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(2S)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;(2R)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]cyclopentyl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid?

The canonical SMILES for (1S)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(2S)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;(2R)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]cyclopentyl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid is CC(=O)[C@@H](c1ccccc1)N1CCC(OCCCCc2ccc3c(n2)NCCC3)CC1.CC(=O)[C@H](c1ccccc1)N1CCC(OCCCCc2ccc3c(n2)NCCC3)CC1.O=C(NCCCc1ccc2c(n1)CCCC2)[C@@H]1CCC([C@H](C(=O)O)c2ccccc2)C1.O=C(NCCCc1ccc2c(n1)CCCC2)[C@@H]1CCN([C@@H](C(=O)O)c2ccccc2)C1.O=C(O)[C@@H](c1ccccc1)N1CCC(N2CCC(Cc3ccc4c(n3)CCCC4)CC2)CC1.O=C(O)[C@H](c1ccccc1)N1CCC(N2CCC(Cc3ccc4c(n3)CCCC4)CC2)CC1.

What is the InChIKey of (1S)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(2S)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;(2R)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]cyclopentyl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid?

The InChIKey is AVIWZNRCNZEEBH-VKNOAISMSA-N. The full InChI is InChI=1S/2C28H37N3O2.2C26H35N3O2.C26H32N2O3.C25H31N3O3/c2*32-28(33)27(23-7-2-1-3-8-23)31-18-14-25(15-19-31)30-16-12-21(13-17-30)20-24-11-10-22-6-4-5-9-26(22)29-24;2*1-20(30)25(21-8-3-2-4-9-21)29-17-14-24(15-18-29)31-19-6-5-11-23-13-12-22-10-7-16-27-26(22)28-23;29-25(27-16-6-10-22-15-14-18-7-4-5-11-23(18)28-22)21-13-12-20(17-21)24(26(30)31)19-8-2-1-3-9-19;29-24(26-15-6-10-21-13-12-18-7-4-5-11-22(18)27-21)20-14-16-28(17-20)23(25(30)31)19-8-2-1-3-9-19/h2*1-3,7-8,10-11,21,25,27H,4-6,9,12-20H2,(H,32,33);2*2-4,8-9,12-13,24-25H,5-7,10-11,14-19H2,1H3,(H,27,28);1-3,8-9,14-15,20-21,24H,4-7,10-13,16-17H2,(H,27,29)(H,30,31);1-3,8-9,12-13,20,23H,4-7,10-11,14-17H2,(H,26,29)(H,30,31)/t2*27-;2*25-;20?,21-,24-;20-,23-/m101011/s1.

What are the key properties of (1S)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(2S)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;(2R)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]cyclopentyl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid?

(1S)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(2S)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;(2R)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]cyclopentyl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid has a molecular weight of 2580.51 g/mol, XLogP of 25.61, 46 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(2S)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;(2R)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]cyclopentyl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 157242337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).