4-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-N-(4-phenoxyphenyl)piperidine-1-carboxamide

C33H38N4O2 — CID 44534384

IUPAC4-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-N-(4-phenoxyphenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)N1CCC(CCN2CCC(c3c[nH]c4ccccc34)CC2)CC1
InChIInChI=1S/C33H38N4O2/c38-33(35-27-10-12-29(13-11-27)39-28-6-2-1-3-7-28)37-22-15-25(16-23-37)14-19-36-20-17-26(18-21-36)31-24-34-32-9-5-4-8-30(31)32/h1-13,24-26,34H,14-23H2,(H,35,38)
InChIKeyFQVDYCWXCUHOPZ-UHFFFAOYSA-N
MW522.69 g/mol
LogP7.47
Rot. Bonds7

About 4-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-N-(4-phenoxyphenyl)piperidine-1-carboxamide

4-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-N-(4-phenoxyphenyl)piperidine-1-carboxamide (PubChem CID 44534384) has the molecular formula C33H38N4O2 and a molecular weight of 522.69 g/mol. Its IUPAC name is 4-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-N-(4-phenoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-N-(4-phenoxyphenyl)piperidine-1-carboxamide
PubChem CID44534384
Molecular FormulaC33H38N4O2
Molecular Weight522.69 g/mol
Exact Mass522.30
IUPAC Name4-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-N-(4-phenoxyphenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)N1CCC(CCN2CCC(c3c[nH]c4ccccc34)CC2)CC1
InChIInChI=1S/C33H38N4O2/c38-33(35-27-10-12-29(13-11-27)39-28-6-2-1-3-7-28)37-22-15-25(16-23-37)14-19-36-20-17-26(18-21-36)31-24-34-32-9-5-4-8-30(31)32/h1-13,24-26,34H,14-23H2,(H,35,38)
InChIKeyFQVDYCWXCUHOPZ-UHFFFAOYSA-N
XLogP7.47
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.69
LogP ≤ 57.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-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

Related Compounds

Lanepitant
CID 3086681
N-[(R)-1-{[Acetyl-(2-methoxy-benzyl)-amino]-methyl}-2-(1H-indol-3-yl)-ethyl]-2-(4-cyclohexyl-piperazin-1-yl)-acetamide
CID 9850771
N-Acetyl-5-benzyloxytryptamine
CID 563605
GR 128107
CID 44208891
N-[(R)-1-{[Acetyl-(2-methoxy-benzyl)-amino]-methyl}-2-(1H-indol-3-yl)-ethyl]-2-(4-phenyl-piperazin-1-yl)-acetamide
CID 9829083
2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-(4-phenyl-piperazin-1-yl)-ethanone
CID 9999722
LY303870;LY-303870;LY 303870
CID 10257218
6-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-[4-(4-amino-phenyl)-piperazin-1-yl]-hexan-1-one
CID 10321497
4-[4-(5-fluoro-1H-indol-3-yl)butyl]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperazine-1-carboxamide
CID 10530035
N-[1-{[Acetyl-(2-methoxy-benzyl)-amino]-methyl}-2-(1H-indol-3-yl)-ethyl]-2-(4-cyclohexyl-piperazin-1-yl)-acetamide
CID 10698096
1-(2-{4-[1-(4-Fluoro-phenyl)-5-methoxy-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-imidazolidin-2-one
CID 15006459
N-[2-[5-(2-phenylethoxy)-1H-indol-3-yl]ethyl]acetamide
CID 56653119

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-N-(4-phenoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-N-(4-phenoxyphenyl)piperidine-1-carboxamide (CID 44534384) is 4-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-N-(4-phenoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-N-(4-phenoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-N-(4-phenoxyphenyl)piperidine-1-carboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCC(CCN2CCC(c3c[nH]c4ccccc34)CC2)CC1.
What is the InChIKey of 4-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-N-(4-phenoxyphenyl)piperidine-1-carboxamide?
The InChIKey is FQVDYCWXCUHOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N4O2/c38-33(35-27-10-12-29(13-11-27)39-28-6-2-1-3-7-28)37-22-15-25(16-23-37)14-19-36-20-17-26(18-21-36)31-24-34-32-9-5-4-8-30(31)32/h1-13,24-26,34H,14-23H2,(H,35,38).
What are the key properties of 4-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-N-(4-phenoxyphenyl)piperidine-1-carboxamide?
4-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-N-(4-phenoxyphenyl)piperidine-1-carboxamide has a molecular weight of 522.69 g/mol, XLogP of 7.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-N-(4-phenoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 44534384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).