N-[3-(1H-indol-2-yl)phenyl]-1-propan-2-ylpiperidine-3-carboxamide

C23H27N3O — CID 45197737

IUPACN-[3-(1H-indol-2-yl)phenyl]-1-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)N1CCCC(C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)C1
InChIInChI=1S/C23H27N3O/c1-16(2)26-12-6-9-19(15-26)23(27)24-20-10-5-8-17(13-20)22-14-18-7-3-4-11-21(18)25-22/h3-5,7-8,10-11,13-14,16,19,25H,6,9,12,15H2,1-2H3,(H,24,27)
InChIKeyXZRYNCQVXBPIBX-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.89
Rot. Bonds4

About N-[3-(1H-indol-2-yl)phenyl]-1-propan-2-ylpiperidine-3-carboxamide

N-[3-(1H-indol-2-yl)phenyl]-1-propan-2-ylpiperidine-3-carboxamide (PubChem CID 45197737) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[3-(1H-indol-2-yl)phenyl]-1-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-indol-2-yl)phenyl]-1-propan-2-ylpiperidine-3-carboxamide
PubChem CID45197737
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC NameN-[3-(1H-indol-2-yl)phenyl]-1-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)N1CCCC(C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)C1
InChIInChI=1S/C23H27N3O/c1-16(2)26-12-6-9-19(15-26)23(27)24-20-10-5-8-17(13-20)22-14-18-7-3-4-11-21(18)25-22/h3-5,7-8,10-11,13-14,16,19,25H,6,9,12,15H2,1-2H3,(H,24,27)
InChIKeyXZRYNCQVXBPIBX-UHFFFAOYSA-N
XLogP4.89
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[3-(1H-indol-2-yl)phenyl]-1-propan-2-ylpiperidine-3-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

(3R)-1-(cyclopentanecarbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide
CID 26401813
(3R)-N-[3-(1H-indol-2-yl)phenyl]-1-(2-methylsulfanylacetyl)piperidine-3-carboxamide
CID 26318167
(3R)-1-but-2-ynoyl-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide
CID 25492836
N-[3-(1H-indol-2-yl)phenyl]-1-(3,3,3-trifluoropropanoyl)piperidine-3-carboxamide
CID 45243703
1-(furan-2-carbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide
CID 45211848
(3S)-N-[3-(1H-indol-2-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide
CID 25302072
N-[3-(1H-indol-2-yl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
CID 45220000
(3S)-N-[3-(1H-indol-2-yl)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxamide
CID 42565952
N-[3-(1H-indol-2-yl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 24817005
methyl 4-[[3-(1H-indol-2-yl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 72859425
N-[3-(1H-indol-2-yl)phenyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 45193611
N-[3-(1H-indol-2-yl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide
CID 45191889

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-indol-2-yl)phenyl]-1-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-[3-(1H-indol-2-yl)phenyl]-1-propan-2-ylpiperidine-3-carboxamide (CID 45197737) is N-[3-(1H-indol-2-yl)phenyl]-1-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[3-(1H-indol-2-yl)phenyl]-1-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[3-(1H-indol-2-yl)phenyl]-1-propan-2-ylpiperidine-3-carboxamide is CC(C)N1CCCC(C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)C1.
What is the InChIKey of N-[3-(1H-indol-2-yl)phenyl]-1-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is XZRYNCQVXBPIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-16(2)26-12-6-9-19(15-26)23(27)24-20-10-5-8-17(13-20)22-14-18-7-3-4-11-21(18)25-22/h3-5,7-8,10-11,13-14,16,19,25H,6,9,12,15H2,1-2H3,(H,24,27).
What are the key properties of N-[3-(1H-indol-2-yl)phenyl]-1-propan-2-ylpiperidine-3-carboxamide?
N-[3-(1H-indol-2-yl)phenyl]-1-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-indol-2-yl)phenyl]-1-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 45197737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).