1-cyclopentyl-5-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)piperidin-2-one

C20H30N4O2 — CID 45231871

IUPAC1-cyclopentyl-5-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)piperidin-2-one
SMILESCC(C)c1n[nH]c2c1CN(C(=O)C1CCC(=O)N(C3CCCC3)C1)CC2
InChIInChI=1S/C20H30N4O2/c1-13(2)19-16-12-23(10-9-17(16)21-22-19)20(26)14-7-8-18(25)24(11-14)15-5-3-4-6-15/h13-15H,3-12H2,1-2H3,(H,21,22)
InChIKeyXSOUYHZYCXPWDK-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.60
Rot. Bonds3

About 1-cyclopentyl-5-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)piperidin-2-one

1-cyclopentyl-5-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)piperidin-2-one (PubChem CID 45231871) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 1-cyclopentyl-5-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-5-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)piperidin-2-one
PubChem CID45231871
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name1-cyclopentyl-5-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)piperidin-2-one
SMILESCC(C)c1n[nH]c2c1CN(C(=O)C1CCC(=O)N(C3CCCC3)C1)CC2
InChIInChI=1S/C20H30N4O2/c1-13(2)19-16-12-23(10-9-17(16)21-22-19)20(26)14-7-8-18(25)24(11-14)15-5-3-4-6-15/h13-15H,3-12H2,1-2H3,(H,21,22)
InChIKeyXSOUYHZYCXPWDK-UHFFFAOYSA-N
XLogP2.60
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclohexylmethyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-oxo-3-piperidinecarboxamide
CID 24790910
1-(cyclohexylmethyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 24818911
1-(4-Methylpiperidin-1-yl)-2-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 53593597
N-[(1-cyclopentylpiperidin-3-yl)methyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
CID 56714649
N-[(1-cyclopentylpiperidin-3-yl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 56714725
2-Methyl-1-[3-(piperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 46168740
1'-(cyclopropylcarbonyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,4'-bipiperidine-3-carboxamide
CID 56875867
2-(Cyclopropylmethyl)-9-[3-(4,5-dimethyl-1H-pyrazol-3-YL)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72877405
2-[3-(4,5-Dimethyl-1H-pyrazol-3-YL)propanoyl]-7-ethyl-2,7-diazaspiro[4.5]decan-6-one
CID 72926411
(2S)-2-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)pyrrolidine-1-carboxamide
CID 39754099
1-({1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-4-piperidinyl}methyl)-2-pyrrolidinone
CID 70767195
(6R)-8-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96398343

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)piperidin-2-one?
The IUPAC name of 1-cyclopentyl-5-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)piperidin-2-one (CID 45231871) is 1-cyclopentyl-5-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)piperidin-2-one.
What is the SMILES notation for 1-cyclopentyl-5-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)piperidin-2-one?
The canonical SMILES for 1-cyclopentyl-5-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)piperidin-2-one is CC(C)c1n[nH]c2c1CN(C(=O)C1CCC(=O)N(C3CCCC3)C1)CC2.
What is the InChIKey of 1-cyclopentyl-5-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)piperidin-2-one?
The InChIKey is XSOUYHZYCXPWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-13(2)19-16-12-23(10-9-17(16)21-22-19)20(26)14-7-8-18(25)24(11-14)15-5-3-4-6-15/h13-15H,3-12H2,1-2H3,(H,21,22).
What are the key properties of 1-cyclopentyl-5-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)piperidin-2-one?
1-cyclopentyl-5-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)piperidin-2-one has a molecular weight of 358.49 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)piperidin-2-one is sourced from PubChem (CID 45231871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).