N-[3-(piperidine-1-carbonyl)phenyl]-1H-indole-2-carboxamide

C21H21N3O2 — CID 87027796

IUPACN-[3-(piperidine-1-carbonyl)phenyl]-1H-indole-2-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1cc2ccccc2[nH]1
InChIInChI=1S/C21H21N3O2/c25-20(19-14-15-7-2-3-10-18(15)23-19)22-17-9-6-8-16(13-17)21(26)24-11-4-1-5-12-24/h2-3,6-10,13-14,23H,1,4-5,11-12H2,(H,22,25)
InChIKeyKWXFUJNBTOVWDO-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.05
Rot. Bonds3

About N-[3-(piperidine-1-carbonyl)phenyl]-1H-indole-2-carboxamide

N-[3-(piperidine-1-carbonyl)phenyl]-1H-indole-2-carboxamide (PubChem CID 87027796) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[3-(piperidine-1-carbonyl)phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(piperidine-1-carbonyl)phenyl]-1H-indole-2-carboxamide
PubChem CID87027796
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[3-(piperidine-1-carbonyl)phenyl]-1H-indole-2-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1cc2ccccc2[nH]1
InChIInChI=1S/C21H21N3O2/c25-20(19-14-15-7-2-3-10-18(15)23-19)22-17-9-6-8-16(13-17)21(26)24-11-4-1-5-12-24/h2-3,6-10,13-14,23H,1,4-5,11-12H2,(H,22,25)
InChIKeyKWXFUJNBTOVWDO-UHFFFAOYSA-N
XLogP4.05
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 25049788
N-(3-acetylphenyl)-3-(azepane-1-carbonyl)benzamide
CID 109056722
N-[3-(azepane-1-carbonyl)phenyl]-4-nitrobenzamide
CID 26159233
N-(3-acetamidophenyl)-1-(1H-indole-2-carbonyl)piperidine-3-carboxamide
CID 42649922
methyl 3-[[4-(azepane-1-carbonyl)benzoyl]amino]benzoate
CID 109049175
2-methoxy-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
CID 26168435
N-[3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]benzamide
CID 54841067
(3R)-1-(1H-indole-2-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 41129779
3-(azepane-1-carbonyl)-N-(3-fluorophenyl)benzamide
CID 109056732
N-[3-(azepane-1-carbonyl)phenyl]-3-nitrobenzamide
CID 26159248
N-[3-(azepane-1-carbonyl)phenyl]-3-(2-phenoxyethoxy)benzamide
CID 26159512
3-(2-phenoxyethoxy)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
CID 26168534

Frequently Asked Questions

What is the IUPAC name of N-[3-(piperidine-1-carbonyl)phenyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[3-(piperidine-1-carbonyl)phenyl]-1H-indole-2-carboxamide (CID 87027796) is N-[3-(piperidine-1-carbonyl)phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[3-(piperidine-1-carbonyl)phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[3-(piperidine-1-carbonyl)phenyl]-1H-indole-2-carboxamide is O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[3-(piperidine-1-carbonyl)phenyl]-1H-indole-2-carboxamide?
The InChIKey is KWXFUJNBTOVWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c25-20(19-14-15-7-2-3-10-18(15)23-19)22-17-9-6-8-16(13-17)21(26)24-11-4-1-5-12-24/h2-3,6-10,13-14,23H,1,4-5,11-12H2,(H,22,25).
What are the key properties of N-[3-(piperidine-1-carbonyl)phenyl]-1H-indole-2-carboxamide?
N-[3-(piperidine-1-carbonyl)phenyl]-1H-indole-2-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(piperidine-1-carbonyl)phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 87027796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).