1-benzoyl-N-[2-(1H-indol-2-yl)ethyl]piperidine-4-carboxamide

C23H25N3O2 — CID 21030345

IUPAC1-benzoyl-N-[2-(1H-indol-2-yl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1cc2ccccc2[nH]1)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C23H25N3O2/c27-22(24-13-10-20-16-19-8-4-5-9-21(19)25-20)17-11-14-26(15-12-17)23(28)18-6-2-1-3-7-18/h1-9,16-17,25H,10-15H2,(H,24,27)
InChIKeyIKZBMMIAJRMDGM-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.38
Rot. Bonds5

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

1-benzoyl-N-[2-(1H-indol-2-yl)ethyl]piperidine-4-carboxamide (PubChem CID 21030345) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-benzoyl-N-[2-(1H-indol-2-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-[2-(1H-indol-2-yl)ethyl]piperidine-4-carboxamide
PubChem CID21030345
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name1-benzoyl-N-[2-(1H-indol-2-yl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1cc2ccccc2[nH]1)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C23H25N3O2/c27-22(24-13-10-20-16-19-8-4-5-9-21(19)25-20)17-11-14-26(15-12-17)23(28)18-6-2-1-3-7-18/h1-9,16-17,25H,10-15H2,(H,24,27)
InChIKeyIKZBMMIAJRMDGM-UHFFFAOYSA-N
XLogP3.38
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzoyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 110298322
N-[2-(1H-indol-2-yl)ethyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide
CID 99789227
1-(4-bromobenzoyl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 27670954
N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-benzoylpiperidine-4-carboxamide
CID 110615621
1-benzoyl-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide;hydrochloride
CID 119447778
(3S)-N-[2-(1H-indol-2-yl)ethyl]-3-morpholin-4-ylpyrrolidine-1-carboxamide
CID 124577288
1-benzoyl-N-(2-propan-2-yloxyethyl)piperidine-4-carboxamide
CID 110416664
1-benzoyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 154800157
N-[2-(1H-indol-2-yl)ethyl]acetamide
CID 10465460
1-benzoyl-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]piperidine-4-carboxamide
CID 71998614
4-[3-[2-(1H-indol-2-yl)ethylamino]-3-oxopropyl]benzoic acid
CID 75516623
5-[[(1-benzoylpiperidine-4-carbonyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110854

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-[2-(1H-indol-2-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-benzoyl-N-[2-(1H-indol-2-yl)ethyl]piperidine-4-carboxamide (CID 21030345) is 1-benzoyl-N-[2-(1H-indol-2-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzoyl-N-[2-(1H-indol-2-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-benzoyl-N-[2-(1H-indol-2-yl)ethyl]piperidine-4-carboxamide is O=C(NCCc1cc2ccccc2[nH]1)C1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 1-benzoyl-N-[2-(1H-indol-2-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is IKZBMMIAJRMDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c27-22(24-13-10-20-16-19-8-4-5-9-21(19)25-20)17-11-14-26(15-12-17)23(28)18-6-2-1-3-7-18/h1-9,16-17,25H,10-15H2,(H,24,27).
What are the key properties of 1-benzoyl-N-[2-(1H-indol-2-yl)ethyl]piperidine-4-carboxamide?
1-benzoyl-N-[2-(1H-indol-2-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-[2-(1H-indol-2-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 21030345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).