cyclopentyl (2S)-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]methylamino]-4-methylpentanoate;cyclopentyl (2S)-4-methyl-2-[[1-(2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoyl)piperidin-4-yl]methylamino]pentanoate;1-(2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoyl)piperidine-4-carbaldehyde

C86H117N5O12 — CID 160713423

About cyclopentyl (2S)-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]methylamino]-4-methylpentanoate;cyclopentyl (2S)-4-methyl-2-[[1-(2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoyl)piperidin-4-yl]methylamino]pentanoate;1-(2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoyl)piperidine-4-carbaldehyde

cyclopentyl (2S)-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]methylamino]-4-methylpentanoate;cyclopentyl (2S)-4-methyl-2-[[1-(2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoyl)piperidin-4-yl]methylamino]pentanoate;1-(2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoyl)piperidine-4-carbaldehyde (PubChem CID 160713423) has the molecular formula C86H117N5O12 and a molecular weight of 1412.90 g/mol. Its IUPAC name is cyclopentyl (2S)-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]methylamino]-4-methylpentanoate;cyclopentyl (2S)-4-methyl-2-[[1-(2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoyl)piperidin-4-yl]methylamino]pentanoate;1-(2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoyl)piperidine-4-carbaldehyde.

Molecular Properties

• Compound Name: cyclopentyl (2S)-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]methylamino]-4-methylpentanoate;cyclopentyl (2S)-4-methyl-2-[[1-(2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoyl)piperidin-4-yl]methylamino]pentanoate;1-(2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoyl)piperidine-4-carbaldehyde
• PubChem CID: 160713423
• Molecular Formula: C86H117N5O12
• Molecular Weight: 1412.90 g/mol
• Exact Mass: 1411.87
• IUPAC Name: cyclopentyl (2S)-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]methylamino]-4-methylpentanoate;cyclopentyl (2S)-4-methyl-2-[[1-(2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoyl)piperidin-4-yl]methylamino]pentanoate;1-(2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoyl)piperidine-4-carbaldehyde
• SMILES: C=C(C)c1cc(C(=O)N2CCC(C=O)CC2)c(C)cc1OCc1ccccc1.C=C(C)c1cc(C(=O)N2CCC(CN[C@@H](CC(C)C)C(=O)OC3CCCC3)CC2)c(C)cc1OCc1ccccc1.CC(C)C[C@H](NCC1CCN(C(=O)c2cc(C(C)C)c(O)cc2O)CC1)C(=O)OC1CCCC1
• InChI: InChI=1S/C35H48N2O4.C27H42N2O5.C24H27NO3/c1-24(2)19-32(35(39)41-29-13-9-10-14-29)36-22-27-15-17-37(18-16-27)34(38)31-21-30(25(3)4)33(20-26(31)5)40-23-28-11-7-6-8-12-28;1-17(2)13-23(27(33)34-20-7-5-6-8-20)28-16-19-9-11-29(12-10-19)26(32)22-14-21(18(3)4)24(30)15-25(22)31;1-17(2)21-14-22(24(27)25-11-9-19(15-26)10-12-25)18(3)13-23(21)28-16-20-7-5-4-6-8-20/h6-8,11-12,20-21,24,27,29,32,36H,3,9-10,13-19,22-23H2,1-2,4-5H3;14-15,17-20,23,28,30-31H,5-13,16H2,1-4H3;4-8,13-15,19H,1,9-12,16H2,2-3H3/t32-;23-;/m00./s1
• InChIKey: RSDQYGTYMKWHFK-RRRQTCJDSA-N
• XLogP: 16.17
• TPSA: 213.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 27
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1412.90
LogP ≤ 5	16.17
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cyclopentyl (2S)-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]methylamino]-4-methylpentanoate;cyclopentyl (2S)-4-methyl-2-[[1-(2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoyl)piperidin-4-yl]methylamino]pentanoate;1-(2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoyl)piperidine-4-carbaldehyde?

The IUPAC name of cyclopentyl (2S)-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]methylamino]-4-methylpentanoate;cyclopentyl (2S)-4-methyl-2-[[1-(2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoyl)piperidin-4-yl]methylamino]pentanoate;1-(2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoyl)piperidine-4-carbaldehyde (CID 160713423) is cyclopentyl (2S)-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]methylamino]-4-methylpentanoate;cyclopentyl (2S)-4-methyl-2-[[1-(2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoyl)piperidin-4-yl]methylamino]pentanoate;1-(2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoyl)piperidine-4-carbaldehyde.

What is the SMILES notation for cyclopentyl (2S)-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]methylamino]-4-methylpentanoate;cyclopentyl (2S)-4-methyl-2-[[1-(2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoyl)piperidin-4-yl]methylamino]pentanoate;1-(2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoyl)piperidine-4-carbaldehyde?

The canonical SMILES for cyclopentyl (2S)-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]methylamino]-4-methylpentanoate;cyclopentyl (2S)-4-methyl-2-[[1-(2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoyl)piperidin-4-yl]methylamino]pentanoate;1-(2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoyl)piperidine-4-carbaldehyde is C=C(C)c1cc(C(=O)N2CCC(C=O)CC2)c(C)cc1OCc1ccccc1.C=C(C)c1cc(C(=O)N2CCC(CN[C@@H](CC(C)C)C(=O)OC3CCCC3)CC2)c(C)cc1OCc1ccccc1.CC(C)C[C@H](NCC1CCN(C(=O)c2cc(C(C)C)c(O)cc2O)CC1)C(=O)OC1CCCC1.

What is the InChIKey of cyclopentyl (2S)-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]methylamino]-4-methylpentanoate;cyclopentyl (2S)-4-methyl-2-[[1-(2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoyl)piperidin-4-yl]methylamino]pentanoate;1-(2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoyl)piperidine-4-carbaldehyde?

The InChIKey is RSDQYGTYMKWHFK-RRRQTCJDSA-N. The full InChI is InChI=1S/C35H48N2O4.C27H42N2O5.C24H27NO3/c1-24(2)19-32(35(39)41-29-13-9-10-14-29)36-22-27-15-17-37(18-16-27)34(38)31-21-30(25(3)4)33(20-26(31)5)40-23-28-11-7-6-8-12-28;1-17(2)13-23(27(33)34-20-7-5-6-8-20)28-16-19-9-11-29(12-10-19)26(32)22-14-21(18(3)4)24(30)15-25(22)31;1-17(2)21-14-22(24(27)25-11-9-19(15-26)10-12-25)18(3)13-23(21)28-16-20-7-5-4-6-8-20/h6-8,11-12,20-21,24,27,29,32,36H,3,9-10,13-19,22-23H2,1-2,4-5H3;14-15,17-20,23,28,30-31H,5-13,16H2,1-4H3;4-8,13-15,19H,1,9-12,16H2,2-3H3/t32-;23-;/m00./s1.

What are the key properties of cyclopentyl (2S)-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]methylamino]-4-methylpentanoate;cyclopentyl (2S)-4-methyl-2-[[1-(2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoyl)piperidin-4-yl]methylamino]pentanoate;1-(2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoyl)piperidine-4-carbaldehyde?

cyclopentyl (2S)-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]methylamino]-4-methylpentanoate;cyclopentyl (2S)-4-methyl-2-[[1-(2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoyl)piperidin-4-yl]methylamino]pentanoate;1-(2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoyl)piperidine-4-carbaldehyde has a molecular weight of 1412.90 g/mol, XLogP of 16.17, 27 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopentyl (2S)-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]methylamino]-4-methylpentanoate;cyclopentyl (2S)-4-methyl-2-[[1-(2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoyl)piperidin-4-yl]methylamino]pentanoate;1-(2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoyl)piperidine-4-carbaldehyde is sourced from PubChem (CID 160713423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).