1-(2-methylpyrazole-3-carbonyl)-4-phenylpiperidine-4-carbonitrile

C17H18N4O — CID 74239752

IUPAC1-(2-methylpyrazole-3-carbonyl)-4-phenylpiperidine-4-carbonitrile
SMILESCn1nccc1C(=O)N1CCC(C#N)(c2ccccc2)CC1
InChIInChI=1S/C17H18N4O/c1-20-15(7-10-19-20)16(22)21-11-8-17(13-18,9-12-21)14-5-3-2-4-6-14/h2-7,10H,8-9,11-12H2,1H3
InChIKeyAKQTYUAQHBZNAL-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.12
Rot. Bonds2

About 1-(2-methylpyrazole-3-carbonyl)-4-phenylpiperidine-4-carbonitrile

1-(2-methylpyrazole-3-carbonyl)-4-phenylpiperidine-4-carbonitrile (PubChem CID 74239752) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-(2-methylpyrazole-3-carbonyl)-4-phenylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(2-methylpyrazole-3-carbonyl)-4-phenylpiperidine-4-carbonitrile
PubChem CID74239752
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name1-(2-methylpyrazole-3-carbonyl)-4-phenylpiperidine-4-carbonitrile
SMILESCn1nccc1C(=O)N1CCC(C#N)(c2ccccc2)CC1
InChIInChI=1S/C17H18N4O/c1-20-15(7-10-19-20)16(22)21-11-8-17(13-18,9-12-21)14-5-3-2-4-6-14/h2-7,10H,8-9,11-12H2,1H3
InChIKeyAKQTYUAQHBZNAL-UHFFFAOYSA-N
XLogP2.12
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-4-phenylpiperidine-4-carbonitrile
CID 77095886
(2-methylpyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 1219801
1-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 110467110
4-phenyl-1-[4-(pyridin-4-ylamino)benzoyl]piperidine-4-carbonitrile
CID 70797802
1-(2-methylpyrazole-3-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63125678
4-anilino-N,N-dimethyl-1-(2-methylpyrazole-3-carbonyl)piperidine-4-carboxamide
CID 155874172
4-phenyl-1-[(2R)-2-pyrazol-1-ylbutanoyl]piperidine-4-carbonitrile
CID 97140404
1-(2-ethylbutanoyl)-4-phenylpiperidine-4-carbonitrile
CID 110711531
1-(cyclopentanecarbonyl)-4-phenylpiperidine-4-carbonitrile
CID 110711530
2-azaspiro[4.5]decan-2-yl-(2-methylpyrazol-3-yl)methanone
CID 71873410
1-(3-methylsulfonylpropanoyl)-4-phenylpiperidine-4-carbonitrile
CID 131905041
(2-methylpyrazol-3-yl)-piperazin-1-ylmethanone;dihydrochloride
CID 126965683

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrazole-3-carbonyl)-4-phenylpiperidine-4-carbonitrile?
The IUPAC name of 1-(2-methylpyrazole-3-carbonyl)-4-phenylpiperidine-4-carbonitrile (CID 74239752) is 1-(2-methylpyrazole-3-carbonyl)-4-phenylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-(2-methylpyrazole-3-carbonyl)-4-phenylpiperidine-4-carbonitrile?
The canonical SMILES for 1-(2-methylpyrazole-3-carbonyl)-4-phenylpiperidine-4-carbonitrile is Cn1nccc1C(=O)N1CCC(C#N)(c2ccccc2)CC1.
What is the InChIKey of 1-(2-methylpyrazole-3-carbonyl)-4-phenylpiperidine-4-carbonitrile?
The InChIKey is AKQTYUAQHBZNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-20-15(7-10-19-20)16(22)21-11-8-17(13-18,9-12-21)14-5-3-2-4-6-14/h2-7,10H,8-9,11-12H2,1H3.
What are the key properties of 1-(2-methylpyrazole-3-carbonyl)-4-phenylpiperidine-4-carbonitrile?
1-(2-methylpyrazole-3-carbonyl)-4-phenylpiperidine-4-carbonitrile has a molecular weight of 294.36 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrazole-3-carbonyl)-4-phenylpiperidine-4-carbonitrile is sourced from PubChem (CID 74239752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).