4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-N-(4-phenoxyphenyl)piperidine-1-carboxamide

C32H36N4O2 — CID 44534388

IUPAC4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-N-(4-phenoxyphenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)N1CCC(CN2CCC(c3c[nH]c4ccccc34)CC2)CC1
InChIInChI=1S/C32H36N4O2/c37-32(34-26-10-12-28(13-11-26)38-27-6-2-1-3-7-27)36-20-14-24(15-21-36)23-35-18-16-25(17-19-35)30-22-33-31-9-5-4-8-29(30)31/h1-13,22,24-25,33H,14-21,23H2,(H,34,37)
InChIKeyLEXBDJNYZBKPHH-UHFFFAOYSA-N
MW508.67 g/mol
LogP7.08
Rot. Bonds6

About 4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-N-(4-phenoxyphenyl)piperidine-1-carboxamide

4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-N-(4-phenoxyphenyl)piperidine-1-carboxamide (PubChem CID 44534388) has the molecular formula C32H36N4O2 and a molecular weight of 508.67 g/mol. Its IUPAC name is 4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-N-(4-phenoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-N-(4-phenoxyphenyl)piperidine-1-carboxamide
PubChem CID44534388
Molecular FormulaC32H36N4O2
Molecular Weight508.67 g/mol
Exact Mass508.28
IUPAC Name4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-N-(4-phenoxyphenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)N1CCC(CN2CCC(c3c[nH]c4ccccc34)CC2)CC1
InChIInChI=1S/C32H36N4O2/c37-32(34-26-10-12-28(13-11-26)38-27-6-2-1-3-7-27)36-20-14-24(15-21-36)23-35-18-16-25(17-19-35)30-22-33-31-9-5-4-8-29(30)31/h1-13,22,24-25,33H,14-21,23H2,(H,34,37)
InChIKeyLEXBDJNYZBKPHH-UHFFFAOYSA-N
XLogP7.08
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.67
LogP ≤ 57.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-N-(4-phenoxyphenyl)piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-N-(4-phenoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-N-(4-phenoxyphenyl)piperidine-1-carboxamide (CID 44534388) is 4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-N-(4-phenoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-N-(4-phenoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-N-(4-phenoxyphenyl)piperidine-1-carboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCC(CN2CCC(c3c[nH]c4ccccc34)CC2)CC1.
What is the InChIKey of 4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-N-(4-phenoxyphenyl)piperidine-1-carboxamide?
The InChIKey is LEXBDJNYZBKPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N4O2/c37-32(34-26-10-12-28(13-11-26)38-27-6-2-1-3-7-27)36-20-14-24(15-21-36)23-35-18-16-25(17-19-35)30-22-33-31-9-5-4-8-29(30)31/h1-13,22,24-25,33H,14-21,23H2,(H,34,37).
What are the key properties of 4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-N-(4-phenoxyphenyl)piperidine-1-carboxamide?
4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-N-(4-phenoxyphenyl)piperidine-1-carboxamide has a molecular weight of 508.67 g/mol, XLogP of 7.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-N-(4-phenoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 44534388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).