N-[4-hydroxy-4-[2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethyl]cyclohexyl]-4-[2-(3-methoxyphenyl)ethoxy]-1H-indole-2-carboxamide

C32H43N3O5 — CID 25006636

About N-[4-hydroxy-4-[2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethyl]cyclohexyl]-4-[2-(3-methoxyphenyl)ethoxy]-1H-indole-2-carboxamide

N-[4-hydroxy-4-[2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethyl]cyclohexyl]-4-[2-(3-methoxyphenyl)ethoxy]-1H-indole-2-carboxamide (PubChem CID 25006636) has the molecular formula C32H43N3O5 and a molecular weight of 549.71 g/mol. Its IUPAC name is N-[4-hydroxy-4-[2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethyl]cyclohexyl]-4-[2-(3-methoxyphenyl)ethoxy]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-hydroxy-4-[2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethyl]cyclohexyl]-4-[2-(3-methoxyphenyl)ethoxy]-1H-indole-2-carboxamide
• PubChem CID: 25006636
• Molecular Formula: C32H43N3O5
• Molecular Weight: 549.71 g/mol
• Exact Mass: 549.32
• IUPAC Name: N-[4-hydroxy-4-[2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethyl]cyclohexyl]-4-[2-(3-methoxyphenyl)ethoxy]-1H-indole-2-carboxamide
• SMILES: COc1cccc(CCOc2cccc3[nH]c(C(=O)NC4CCC(O)(CCN5CC[C@H](O)[C@@H](C)C5)CC4)cc23)c1
• InChI: InChI=1S/C32H43N3O5/c1-22-21-35(16-11-29(22)36)17-15-32(38)13-9-24(10-14-32)33-31(37)28-20-26-27(34-28)7-4-8-30(26)40-18-12-23-5-3-6-25(19-23)39-2/h3-8,19-20,22,24,29,34,36,38H,9-18,21H2,1-2H3,(H,33,37)/t22-,24?,29-,32?/m0/s1
• InChIKey: AQMGWFCXWWSYMP-GSPLWHRISA-N
• XLogP: 4.29
• TPSA: 107.05 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	549.71
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-4-[2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethyl]cyclohexyl]-4-[2-(3-methoxyphenyl)ethoxy]-1H-indole-2-carboxamide?

The IUPAC name of N-[4-hydroxy-4-[2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethyl]cyclohexyl]-4-[2-(3-methoxyphenyl)ethoxy]-1H-indole-2-carboxamide (CID 25006636) is N-[4-hydroxy-4-[2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethyl]cyclohexyl]-4-[2-(3-methoxyphenyl)ethoxy]-1H-indole-2-carboxamide.

What is the SMILES notation for N-[4-hydroxy-4-[2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethyl]cyclohexyl]-4-[2-(3-methoxyphenyl)ethoxy]-1H-indole-2-carboxamide?

The canonical SMILES for N-[4-hydroxy-4-[2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethyl]cyclohexyl]-4-[2-(3-methoxyphenyl)ethoxy]-1H-indole-2-carboxamide is COc1cccc(CCOc2cccc3[nH]c(C(=O)NC4CCC(O)(CCN5CC[C@H](O)[C@@H](C)C5)CC4)cc23)c1.

What is the InChIKey of N-[4-hydroxy-4-[2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethyl]cyclohexyl]-4-[2-(3-methoxyphenyl)ethoxy]-1H-indole-2-carboxamide?

The InChIKey is AQMGWFCXWWSYMP-GSPLWHRISA-N. The full InChI is InChI=1S/C32H43N3O5/c1-22-21-35(16-11-29(22)36)17-15-32(38)13-9-24(10-14-32)33-31(37)28-20-26-27(34-28)7-4-8-30(26)40-18-12-23-5-3-6-25(19-23)39-2/h3-8,19-20,22,24,29,34,36,38H,9-18,21H2,1-2H3,(H,33,37)/t22-,24?,29-,32?/m0/s1.

What are the key properties of N-[4-hydroxy-4-[2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethyl]cyclohexyl]-4-[2-(3-methoxyphenyl)ethoxy]-1H-indole-2-carboxamide?

N-[4-hydroxy-4-[2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethyl]cyclohexyl]-4-[2-(3-methoxyphenyl)ethoxy]-1H-indole-2-carboxamide has a molecular weight of 549.71 g/mol, XLogP of 4.29, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-hydroxy-4-[2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethyl]cyclohexyl]-4-[2-(3-methoxyphenyl)ethoxy]-1H-indole-2-carboxamide is sourced from PubChem (CID 25006636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).