2-(1-phenylpyrazol-4-yl)-N-piperidin-3-ylacetamide

C16H20N4O — CID 119424441

IUPAC2-(1-phenylpyrazol-4-yl)-N-piperidin-3-ylacetamide
SMILESO=C(Cc1cnn(-c2ccccc2)c1)NC1CCCNC1
InChIInChI=1S/C16H20N4O/c21-16(19-14-5-4-8-17-11-14)9-13-10-18-20(12-13)15-6-2-1-3-7-15/h1-3,6-7,10,12,14,17H,4-5,8-9,11H2,(H,19,21)
InChIKeyPSXQGIJEGUDPEH-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.28
Rot. Bonds4

About 2-(1-phenylpyrazol-4-yl)-N-piperidin-3-ylacetamide

2-(1-phenylpyrazol-4-yl)-N-piperidin-3-ylacetamide (PubChem CID 119424441) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(1-phenylpyrazol-4-yl)-N-piperidin-3-ylacetamide.

Molecular Properties

Compound Name2-(1-phenylpyrazol-4-yl)-N-piperidin-3-ylacetamide
PubChem CID119424441
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-(1-phenylpyrazol-4-yl)-N-piperidin-3-ylacetamide
SMILESO=C(Cc1cnn(-c2ccccc2)c1)NC1CCCNC1
InChIInChI=1S/C16H20N4O/c21-16(19-14-5-4-8-17-11-14)9-13-10-18-20(12-13)15-6-2-1-3-7-15/h1-3,6-7,10,12,14,17H,4-5,8-9,11H2,(H,19,21)
InChIKeyPSXQGIJEGUDPEH-UHFFFAOYSA-N
XLogP1.28
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-N-[(3R)-piperidin-3-yl]pyrazole-4-carboxamide
CID 28742838
cis-(1S,3R)-3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675168
N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-piperidin-3-ylbutanamide
CID 119700590
N-piperidin-3-yl-2-pyridin-3-ylacetamide
CID 63321155
N-[(1S)-1-cyclopropylethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 52528125
2-phenyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 79688083
1-phenyl-N-piperidin-3-yltriazole-4-carboxamide
CID 119425815
2-(1-phenylpyrazol-4-yl)-1-piperazin-1-ylethanone
CID 119400257
(1-phenylpyrazol-4-yl)-piperidin-3-ylmethanone
CID 43140089
N'-acetyl-2-(1-phenylpyrazol-4-yl)acetohydrazide
CID 30905613
[2-(cyclohexylamino)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 27031247
2-(4-methylphenyl)-N-[(3R)-piperidin-3-yl]acetamide
CID 113436646

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylpyrazol-4-yl)-N-piperidin-3-ylacetamide?
The IUPAC name of 2-(1-phenylpyrazol-4-yl)-N-piperidin-3-ylacetamide (CID 119424441) is 2-(1-phenylpyrazol-4-yl)-N-piperidin-3-ylacetamide.
What is the SMILES notation for 2-(1-phenylpyrazol-4-yl)-N-piperidin-3-ylacetamide?
The canonical SMILES for 2-(1-phenylpyrazol-4-yl)-N-piperidin-3-ylacetamide is O=C(Cc1cnn(-c2ccccc2)c1)NC1CCCNC1.
What is the InChIKey of 2-(1-phenylpyrazol-4-yl)-N-piperidin-3-ylacetamide?
The InChIKey is PSXQGIJEGUDPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c21-16(19-14-5-4-8-17-11-14)9-13-10-18-20(12-13)15-6-2-1-3-7-15/h1-3,6-7,10,12,14,17H,4-5,8-9,11H2,(H,19,21).
What are the key properties of 2-(1-phenylpyrazol-4-yl)-N-piperidin-3-ylacetamide?
2-(1-phenylpyrazol-4-yl)-N-piperidin-3-ylacetamide has a molecular weight of 284.36 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylpyrazol-4-yl)-N-piperidin-3-ylacetamide is sourced from PubChem (CID 119424441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).