N-[[1-[3-(1H-pyrazol-4-yl)propanoyl]piperidin-3-yl]methyl]-1H-indole-6-carboxamide

C21H25N5O2 — CID 131937541

IUPACN-[[1-[3-(1H-pyrazol-4-yl)propanoyl]piperidin-3-yl]methyl]-1H-indole-6-carboxamide
SMILESO=C(NCC1CCCN(C(=O)CCc2cn[nH]c2)C1)c1ccc2cc[nH]c2c1
InChIInChI=1S/C21H25N5O2/c27-20(6-3-15-12-24-25-13-15)26-9-1-2-16(14-26)11-23-21(28)18-5-4-17-7-8-22-19(17)10-18/h4-5,7-8,10,12-13,16,22H,1-3,6,9,11,14H2,(H,23,28)(H,24,25)
InChIKeyBXSQCJQQWFQNAZ-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.49
Rot. Bonds6

About N-[[1-[3-(1H-pyrazol-4-yl)propanoyl]piperidin-3-yl]methyl]-1H-indole-6-carboxamide

N-[[1-[3-(1H-pyrazol-4-yl)propanoyl]piperidin-3-yl]methyl]-1H-indole-6-carboxamide (PubChem CID 131937541) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[[1-[3-(1H-pyrazol-4-yl)propanoyl]piperidin-3-yl]methyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[[1-[3-(1H-pyrazol-4-yl)propanoyl]piperidin-3-yl]methyl]-1H-indole-6-carboxamide
PubChem CID131937541
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-[[1-[3-(1H-pyrazol-4-yl)propanoyl]piperidin-3-yl]methyl]-1H-indole-6-carboxamide
SMILESO=C(NCC1CCCN(C(=O)CCc2cn[nH]c2)C1)c1ccc2cc[nH]c2c1
InChIInChI=1S/C21H25N5O2/c27-20(6-3-15-12-24-25-13-15)26-9-1-2-16(14-26)11-23-21(28)18-5-4-17-7-8-22-19(17)10-18/h4-5,7-8,10,12-13,16,22H,1-3,6,9,11,14H2,(H,23,28)(H,24,25)
InChIKeyBXSQCJQQWFQNAZ-UHFFFAOYSA-N
XLogP2.49
TPSA93.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[[1-[3-(1H-pyrazol-4-yl)propanoyl]piperidin-3-yl]methyl]-1H-indole-6-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

N-(cyclobutylmethyl)-1H-indole-6-carboxamide
CID 47190926
N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-indole-6-carboxamide
CID 77088126
N-[[(3R)-1-(1H-indole-5-carbonyl)piperidin-3-yl]methyl]-4-phenylbenzamide
CID 42514413
N-[[1-(1H-indole-5-carbonyl)piperidin-3-yl]methyl]-4-phenylbenzamide
CID 45226176
N-[[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-3-yl]methyl]-1H-indole-5-carboxamide
CID 131930403
N-[[(3R)-1-(3-cyclohexylpropanoyl)piperidin-3-yl]methyl]-4-fluorobenzamide
CID 26323586
1H-indol-6-yl-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 94658936
1H-indol-6-yl-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 56724316
4-fluoro-N-[[(3R)-1-pent-4-enoylpiperidin-3-yl]methyl]benzamide
CID 25479373
1-(3-aminopiperidin-1-yl)-2-(1H-indol-6-yl)ethanone
CID 112530969
1-[4-[(2S)-1-methylpyrrolidine-2-carbonyl]-1,4-diazepan-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 134704915
benzyl 4-[(1H-indole-5-carbonylamino)methyl]piperidine-1-carboxylate
CID 58933443

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(1H-pyrazol-4-yl)propanoyl]piperidin-3-yl]methyl]-1H-indole-6-carboxamide?
The IUPAC name of N-[[1-[3-(1H-pyrazol-4-yl)propanoyl]piperidin-3-yl]methyl]-1H-indole-6-carboxamide (CID 131937541) is N-[[1-[3-(1H-pyrazol-4-yl)propanoyl]piperidin-3-yl]methyl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-[[1-[3-(1H-pyrazol-4-yl)propanoyl]piperidin-3-yl]methyl]-1H-indole-6-carboxamide?
The canonical SMILES for N-[[1-[3-(1H-pyrazol-4-yl)propanoyl]piperidin-3-yl]methyl]-1H-indole-6-carboxamide is O=C(NCC1CCCN(C(=O)CCc2cn[nH]c2)C1)c1ccc2cc[nH]c2c1.
What is the InChIKey of N-[[1-[3-(1H-pyrazol-4-yl)propanoyl]piperidin-3-yl]methyl]-1H-indole-6-carboxamide?
The InChIKey is BXSQCJQQWFQNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c27-20(6-3-15-12-24-25-13-15)26-9-1-2-16(14-26)11-23-21(28)18-5-4-17-7-8-22-19(17)10-18/h4-5,7-8,10,12-13,16,22H,1-3,6,9,11,14H2,(H,23,28)(H,24,25).
What are the key properties of N-[[1-[3-(1H-pyrazol-4-yl)propanoyl]piperidin-3-yl]methyl]-1H-indole-6-carboxamide?
N-[[1-[3-(1H-pyrazol-4-yl)propanoyl]piperidin-3-yl]methyl]-1H-indole-6-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.49, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(1H-pyrazol-4-yl)propanoyl]piperidin-3-yl]methyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 131937541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).