1-cyclopropyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide

C19H22N4O2 — CID 24819289

IUPAC1-cyclopropyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1cnn(-c2ccccc2)c1)C1CCC(=O)N(C2CC2)C1
InChIInChI=1S/C19H22N4O2/c24-18-9-6-15(13-22(18)16-7-8-16)19(25)20-10-14-11-21-23(12-14)17-4-2-1-3-5-17/h1-5,11-12,15-16H,6-10,13H2,(H,20,25)
InChIKeyLUJQTUCOKWKCPO-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.89
Rot. Bonds5

About 1-cyclopropyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide

1-cyclopropyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide (PubChem CID 24819289) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-cyclopropyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide
PubChem CID24819289
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name1-cyclopropyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1cnn(-c2ccccc2)c1)C1CCC(=O)N(C2CC2)C1
InChIInChI=1S/C19H22N4O2/c24-18-9-6-15(13-22(18)16-7-8-16)19(25)20-10-14-11-21-23(12-14)17-4-2-1-3-5-17/h1-5,11-12,15-16H,6-10,13H2,(H,20,25)
InChIKeyLUJQTUCOKWKCPO-UHFFFAOYSA-N
XLogP1.89
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-3-piperidinamine
CID 24819297
N-[2-(1-phenyl-1H-pyrazol-3-yl)ethyl]cyclohexanecarboxamide
CID 47092747
1-cyclopropyl-4-[({[3-(3-methylphenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}amino)methyl]-2-pyrrolidinone
CID 16187256
2-(1-isobutyl-3-oxo-2-piperazinyl)-N-[2-(1-phenyl-1H-pyrazol-4-yl)ethyl]acetamide
CID 16187839
N-(2-fluorobenzyl)-3-{1-[3-(5-methyl-1H-pyrazol-1-yl)propanoyl]-3-piperidinyl}propanamide
CID 16190899
N-(3,4-difluorobenzyl)-3-{1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]piperidin-3-yl}propanamide
CID 16191462
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[2-(1-phenyl-1H-pyrazol-4-yl)ethyl]acetamide
CID 16192341
1-(2,3-difluorobenzyl)-N-[3-(1H-pyrazol-1-yl)phenyl]-3-piperidinecarboxamide
CID 24790064
N-(4-isopropylphenyl)-1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-3-piperidinamine
CID 24793068
N-[4-(3-fluorophenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 24817692
1-[(2-fluorophenyl)methyl]-6-oxo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 24819201
1-(2-fluorobenzyl)-N-[3-(1H-pyrazol-1-yl)phenyl]-3-piperidinecarboxamide
CID 24819550

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide (CID 24819289) is 1-cyclopropyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide is O=C(NCc1cnn(-c2ccccc2)c1)C1CCC(=O)N(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The InChIKey is LUJQTUCOKWKCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-18-9-6-15(13-22(18)16-7-8-16)19(25)20-10-14-11-21-23(12-14)17-4-2-1-3-5-17/h1-5,11-12,15-16H,6-10,13H2,(H,20,25).
What are the key properties of 1-cyclopropyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
1-cyclopropyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 24819289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).