ethyl 4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzofuran-2-carboxylate;[7-[(2S)-2-hydroxy-3-(4-naphthalen-2-yl-3,6-dihydro-2H-pyridin-1-yl)propoxy]-1-benzofuran-2-yl]-pyrrolidin-1-ylmethanone;4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-N,N-dimethyl-1-benzothiophene-2-carboxamide;4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1H-indole-2-carboxamide

C116H124N8O15S — CID 157311358

About ethyl 4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzofuran-2-carboxylate;[7-[(2S)-2-hydroxy-3-(4-naphthalen-2-yl-3,6-dihydro-2H-pyridin-1-yl)propoxy]-1-benzofuran-2-yl]-pyrrolidin-1-ylmethanone;4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-N,N-dimethyl-1-benzothiophene-2-carboxamide;4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1H-indole-2-carboxamide

ethyl 4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzofuran-2-carboxylate;[7-[(2S)-2-hydroxy-3-(4-naphthalen-2-yl-3,6-dihydro-2H-pyridin-1-yl)propoxy]-1-benzofuran-2-yl]-pyrrolidin-1-ylmethanone;4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-N,N-dimethyl-1-benzothiophene-2-carboxamide;4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1H-indole-2-carboxamide (PubChem CID 157311358) has the molecular formula C116H124N8O15S and a molecular weight of 1902.38 g/mol. Its IUPAC name is ethyl 4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzofuran-2-carboxylate;[7-[(2S)-2-hydroxy-3-(4-naphthalen-2-yl-3,6-dihydro-2H-pyridin-1-yl)propoxy]-1-benzofuran-2-yl]-pyrrolidin-1-ylmethanone;4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-N,N-dimethyl-1-benzothiophene-2-carboxamide;4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: ethyl 4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzofuran-2-carboxylate;[7-[(2S)-2-hydroxy-3-(4-naphthalen-2-yl-3,6-dihydro-2H-pyridin-1-yl)propoxy]-1-benzofuran-2-yl]-pyrrolidin-1-ylmethanone;4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-N,N-dimethyl-1-benzothiophene-2-carboxamide;4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1H-indole-2-carboxamide
• PubChem CID: 157311358
• Molecular Formula: C116H124N8O15S
• Molecular Weight: 1902.38 g/mol
• Exact Mass: 1900.89
• IUPAC Name: ethyl 4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzofuran-2-carboxylate;[7-[(2S)-2-hydroxy-3-(4-naphthalen-2-yl-3,6-dihydro-2H-pyridin-1-yl)propoxy]-1-benzofuran-2-yl]-pyrrolidin-1-ylmethanone;4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-N,N-dimethyl-1-benzothiophene-2-carboxamide;4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1H-indole-2-carboxamide
• SMILES: CCOC(=O)c1cc2c(OC[C@@H](O)CN3CCC(c4ccc5ccccc5c4)CC3)cccc2o1.CN(C)C(=O)c1cc2c(OC[C@@H](O)CN3CCC(c4ccc5ccccc5c4)CC3)cccc2s1.NC(=O)c1cc2c(OCC(O)CN3CCC(c4ccc5ccccc5c4)CC3)cccc2[nH]1.O=C(c1cc2cccc(OC[C@@H](O)CN3CC=C(c4ccc5ccccc5c4)CC3)c2o1)N1CCCC1
• InChI: InChI=1S/C31H32N2O4.C29H32N2O3S.C29H31NO5.C27H29N3O3/c34-27(20-32-16-12-23(13-17-32)25-11-10-22-6-1-2-7-24(22)18-25)21-36-28-9-5-8-26-19-29(37-30(26)28)31(35)33-14-3-4-15-33;1-30(2)29(33)28-17-25-26(8-5-9-27(25)35-28)34-19-24(32)18-31-14-12-21(13-15-31)23-11-10-20-6-3-4-7-22(20)16-23;1-2-33-29(32)28-17-25-26(8-5-9-27(25)35-28)34-19-24(31)18-30-14-12-21(13-15-30)23-11-10-20-6-3-4-7-22(20)16-23;28-27(32)25-15-23-24(29-25)6-3-7-26(23)33-17-22(31)16-30-12-10-19(11-13-30)21-9-8-18-4-1-2-5-20(18)14-21/h1-2,5-12,18-19,27,34H,3-4,13-17,20-21H2;3-11,16-17,21,24,32H,12-15,18-19H2,1-2H3;3-11,16-17,21,24,31H,2,12-15,18-19H2,1H3;1-9,14-15,19,22,29,31H,10-13,16-17H2,(H2,28,32)/t27-;2*24-;/m000./s1
• InChIKey: BDBQHGUAHXAKIO-XDEACAHRSA-N
• XLogP: 20.15
• TPSA: 282.88 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 29
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1902.38
LogP ≤ 5	20.15
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzofuran-2-carboxylate;[7-[(2S)-2-hydroxy-3-(4-naphthalen-2-yl-3,6-dihydro-2H-pyridin-1-yl)propoxy]-1-benzofuran-2-yl]-pyrrolidin-1-ylmethanone;4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-N,N-dimethyl-1-benzothiophene-2-carboxamide;4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1H-indole-2-carboxamide?

The IUPAC name of ethyl 4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzofuran-2-carboxylate;[7-[(2S)-2-hydroxy-3-(4-naphthalen-2-yl-3,6-dihydro-2H-pyridin-1-yl)propoxy]-1-benzofuran-2-yl]-pyrrolidin-1-ylmethanone;4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-N,N-dimethyl-1-benzothiophene-2-carboxamide;4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1H-indole-2-carboxamide (CID 157311358) is ethyl 4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzofuran-2-carboxylate;[7-[(2S)-2-hydroxy-3-(4-naphthalen-2-yl-3,6-dihydro-2H-pyridin-1-yl)propoxy]-1-benzofuran-2-yl]-pyrrolidin-1-ylmethanone;4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-N,N-dimethyl-1-benzothiophene-2-carboxamide;4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1H-indole-2-carboxamide.

What is the SMILES notation for ethyl 4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzofuran-2-carboxylate;[7-[(2S)-2-hydroxy-3-(4-naphthalen-2-yl-3,6-dihydro-2H-pyridin-1-yl)propoxy]-1-benzofuran-2-yl]-pyrrolidin-1-ylmethanone;4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-N,N-dimethyl-1-benzothiophene-2-carboxamide;4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1H-indole-2-carboxamide?

The canonical SMILES for ethyl 4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzofuran-2-carboxylate;[7-[(2S)-2-hydroxy-3-(4-naphthalen-2-yl-3,6-dihydro-2H-pyridin-1-yl)propoxy]-1-benzofuran-2-yl]-pyrrolidin-1-ylmethanone;4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-N,N-dimethyl-1-benzothiophene-2-carboxamide;4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1H-indole-2-carboxamide is CCOC(=O)c1cc2c(OC[C@@H](O)CN3CCC(c4ccc5ccccc5c4)CC3)cccc2o1.CN(C)C(=O)c1cc2c(OC[C@@H](O)CN3CCC(c4ccc5ccccc5c4)CC3)cccc2s1.NC(=O)c1cc2c(OCC(O)CN3CCC(c4ccc5ccccc5c4)CC3)cccc2[nH]1.O=C(c1cc2cccc(OC[C@@H](O)CN3CC=C(c4ccc5ccccc5c4)CC3)c2o1)N1CCCC1.

What is the InChIKey of ethyl 4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzofuran-2-carboxylate;[7-[(2S)-2-hydroxy-3-(4-naphthalen-2-yl-3,6-dihydro-2H-pyridin-1-yl)propoxy]-1-benzofuran-2-yl]-pyrrolidin-1-ylmethanone;4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-N,N-dimethyl-1-benzothiophene-2-carboxamide;4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1H-indole-2-carboxamide?

The InChIKey is BDBQHGUAHXAKIO-XDEACAHRSA-N. The full InChI is InChI=1S/C31H32N2O4.C29H32N2O3S.C29H31NO5.C27H29N3O3/c34-27(20-32-16-12-23(13-17-32)25-11-10-22-6-1-2-7-24(22)18-25)21-36-28-9-5-8-26-19-29(37-30(26)28)31(35)33-14-3-4-15-33;1-30(2)29(33)28-17-25-26(8-5-9-27(25)35-28)34-19-24(32)18-31-14-12-21(13-15-31)23-11-10-20-6-3-4-7-22(20)16-23;1-2-33-29(32)28-17-25-26(8-5-9-27(25)35-28)34-19-24(31)18-30-14-12-21(13-15-30)23-11-10-20-6-3-4-7-22(20)16-23;28-27(32)25-15-23-24(29-25)6-3-7-26(23)33-17-22(31)16-30-12-10-19(11-13-30)21-9-8-18-4-1-2-5-20(18)14-21/h1-2,5-12,18-19,27,34H,3-4,13-17,20-21H2;3-11,16-17,21,24,32H,12-15,18-19H2,1-2H3;3-11,16-17,21,24,31H,2,12-15,18-19H2,1H3;1-9,14-15,19,22,29,31H,10-13,16-17H2,(H2,28,32)/t27-;2*24-;/m000./s1.

What are the key properties of ethyl 4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzofuran-2-carboxylate;[7-[(2S)-2-hydroxy-3-(4-naphthalen-2-yl-3,6-dihydro-2H-pyridin-1-yl)propoxy]-1-benzofuran-2-yl]-pyrrolidin-1-ylmethanone;4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-N,N-dimethyl-1-benzothiophene-2-carboxamide;4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1H-indole-2-carboxamide?

ethyl 4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzofuran-2-carboxylate;[7-[(2S)-2-hydroxy-3-(4-naphthalen-2-yl-3,6-dihydro-2H-pyridin-1-yl)propoxy]-1-benzofuran-2-yl]-pyrrolidin-1-ylmethanone;4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-N,N-dimethyl-1-benzothiophene-2-carboxamide;4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1H-indole-2-carboxamide has a molecular weight of 1902.38 g/mol, XLogP of 20.15, 29 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzofuran-2-carboxylate;[7-[(2S)-2-hydroxy-3-(4-naphthalen-2-yl-3,6-dihydro-2H-pyridin-1-yl)propoxy]-1-benzofuran-2-yl]-pyrrolidin-1-ylmethanone;4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-N,N-dimethyl-1-benzothiophene-2-carboxamide;4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1H-indole-2-carboxamide is sourced from PubChem (CID 157311358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).