4-phenyl-1-[(2R)-2-pyrazol-1-ylbutanoyl]piperidine-4-carbonitrile

C19H22N4O — CID 97140404

IUPAC4-phenyl-1-[(2R)-2-pyrazol-1-ylbutanoyl]piperidine-4-carbonitrile
SMILESCC[C@H](C(=O)N1CCC(C#N)(c2ccccc2)CC1)n1cccn1
InChIInChI=1S/C19H22N4O/c1-2-17(23-12-6-11-21-23)18(24)22-13-9-19(15-20,10-14-22)16-7-4-3-5-8-16/h3-8,11-12,17H,2,9-10,13-14H2,1H3/t17-/m1/s1
InChIKeyBPVZVZZRYYZFOZ-QGZVFWFLSA-N
MW322.41 g/mol
LogP2.92
Rot. Bonds4

About 4-phenyl-1-[(2R)-2-pyrazol-1-ylbutanoyl]piperidine-4-carbonitrile

4-phenyl-1-[(2R)-2-pyrazol-1-ylbutanoyl]piperidine-4-carbonitrile (PubChem CID 97140404) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-phenyl-1-[(2R)-2-pyrazol-1-ylbutanoyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-phenyl-1-[(2R)-2-pyrazol-1-ylbutanoyl]piperidine-4-carbonitrile
PubChem CID97140404
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name4-phenyl-1-[(2R)-2-pyrazol-1-ylbutanoyl]piperidine-4-carbonitrile
SMILESCC[C@H](C(=O)N1CCC(C#N)(c2ccccc2)CC1)n1cccn1
InChIInChI=1S/C19H22N4O/c1-2-17(23-12-6-11-21-23)18(24)22-13-9-19(15-20,10-14-22)16-7-4-3-5-8-16/h3-8,11-12,17H,2,9-10,13-14H2,1H3/t17-/m1/s1
InChIKeyBPVZVZZRYYZFOZ-QGZVFWFLSA-N
XLogP2.92
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethylbutanoyl)-4-phenylpiperidine-4-carbonitrile
CID 110711531
1-[(2R)-2-ethoxypropanoyl]-4-phenylpiperidine-4-carbonitrile
CID 126445072
1-(4-phenyl-1,4-diazepan-1-yl)-2-pyrazol-1-ylbutan-1-one
CID 70733476
1-methyl-1'-[(2S)-2-pyrazol-1-ylbutanoyl]spiro[indole-3,4'-piperidine]-2-one
CID 97122726
8-(2-pyrazol-1-ylbutanoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70720442
8-(2-pyrazol-1-ylbutanoyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 72848540
1-[4-(2-phenoxyethyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one
CID 70781977
1-(2-methylpyrazole-3-carbonyl)-4-phenylpiperidine-4-carbonitrile
CID 74239752
(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one
CID 97154552
6-[4-[(2R)-2-pyrazol-1-ylbutanoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 97151006
1-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one
CID 70724830
1-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]-2-pyrazol-1-ylbutan-1-one
CID 72842623

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-[(2R)-2-pyrazol-1-ylbutanoyl]piperidine-4-carbonitrile?
The IUPAC name of 4-phenyl-1-[(2R)-2-pyrazol-1-ylbutanoyl]piperidine-4-carbonitrile (CID 97140404) is 4-phenyl-1-[(2R)-2-pyrazol-1-ylbutanoyl]piperidine-4-carbonitrile.
What is the SMILES notation for 4-phenyl-1-[(2R)-2-pyrazol-1-ylbutanoyl]piperidine-4-carbonitrile?
The canonical SMILES for 4-phenyl-1-[(2R)-2-pyrazol-1-ylbutanoyl]piperidine-4-carbonitrile is CC[C@H](C(=O)N1CCC(C#N)(c2ccccc2)CC1)n1cccn1.
What is the InChIKey of 4-phenyl-1-[(2R)-2-pyrazol-1-ylbutanoyl]piperidine-4-carbonitrile?
The InChIKey is BPVZVZZRYYZFOZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22N4O/c1-2-17(23-12-6-11-21-23)18(24)22-13-9-19(15-20,10-14-22)16-7-4-3-5-8-16/h3-8,11-12,17H,2,9-10,13-14H2,1H3/t17-/m1/s1.
What are the key properties of 4-phenyl-1-[(2R)-2-pyrazol-1-ylbutanoyl]piperidine-4-carbonitrile?
4-phenyl-1-[(2R)-2-pyrazol-1-ylbutanoyl]piperidine-4-carbonitrile has a molecular weight of 322.41 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-[(2R)-2-pyrazol-1-ylbutanoyl]piperidine-4-carbonitrile is sourced from PubChem (CID 97140404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).