1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-4-phenylpiperidine-4-carbonitrile

C18H19N3OS — CID 77095886

IUPAC1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-4-phenylpiperidine-4-carbonitrile
SMILESCc1nc(C(=O)N2CCC(C#N)(c3ccccc3)CC2)c(C)s1
InChIInChI=1S/C18H19N3OS/c1-13-16(20-14(2)23-13)17(22)21-10-8-18(12-19,9-11-21)15-6-4-3-5-7-15/h3-7H,8-11H2,1-2H3
InChIKeyLHILDVWLCQRBAG-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.46
Rot. Bonds2

About 1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-4-phenylpiperidine-4-carbonitrile

1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-4-phenylpiperidine-4-carbonitrile (PubChem CID 77095886) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-4-phenylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-4-phenylpiperidine-4-carbonitrile
PubChem CID77095886
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-4-phenylpiperidine-4-carbonitrile
SMILESCc1nc(C(=O)N2CCC(C#N)(c3ccccc3)CC2)c(C)s1
InChIInChI=1S/C18H19N3OS/c1-13-16(20-14(2)23-13)17(22)21-10-8-18(12-19,9-11-21)15-6-4-3-5-7-15/h3-7H,8-11H2,1-2H3
InChIKeyLHILDVWLCQRBAG-UHFFFAOYSA-N
XLogP3.46
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylpyrazole-3-carbonyl)-4-phenylpiperidine-4-carbonitrile
CID 74239752
1-(2-ethylbutanoyl)-4-phenylpiperidine-4-carbonitrile
CID 110711531
4-cyano-N-(2-methylphenyl)-4-phenylpiperidine-1-carboxamide
CID 3864975
4-phenyl-1-[4-(pyridin-4-ylamino)benzoyl]piperidine-4-carbonitrile
CID 70797802
1-(cyclopentanecarbonyl)-4-phenylpiperidine-4-carbonitrile
CID 110711530
1-(3-methylsulfonylpropanoyl)-4-phenylpiperidine-4-carbonitrile
CID 131905041
(2,5-dimethyl-1,3-thiazol-4-yl)-(3-phenylpiperazin-1-yl)methanone
CID 74232531
1-(4,6-dimethylpyrimidin-2-yl)-4-phenylpiperidine-4-carbonitrile
CID 134713638
1-[(2R)-2-ethoxypropanoyl]-4-phenylpiperidine-4-carbonitrile
CID 126445072
4-phenyl-1-[(2R)-2-pyrazol-1-ylbutanoyl]piperidine-4-carbonitrile
CID 97140404
4-cyano-N-naphthalen-1-yl-4-phenylpiperidine-1-carboxamide
CID 4576172
4-cyano-N-(2-ethylphenyl)-4-phenylpiperidine-1-carboxamide
CID 3861868

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-4-phenylpiperidine-4-carbonitrile?
The IUPAC name of 1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-4-phenylpiperidine-4-carbonitrile (CID 77095886) is 1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-4-phenylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-4-phenylpiperidine-4-carbonitrile?
The canonical SMILES for 1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-4-phenylpiperidine-4-carbonitrile is Cc1nc(C(=O)N2CCC(C#N)(c3ccccc3)CC2)c(C)s1.
What is the InChIKey of 1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-4-phenylpiperidine-4-carbonitrile?
The InChIKey is LHILDVWLCQRBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-13-16(20-14(2)23-13)17(22)21-10-8-18(12-19,9-11-21)15-6-4-3-5-7-15/h3-7H,8-11H2,1-2H3.
What are the key properties of 1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-4-phenylpiperidine-4-carbonitrile?
1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-4-phenylpiperidine-4-carbonitrile has a molecular weight of 325.44 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-4-phenylpiperidine-4-carbonitrile is sourced from PubChem (CID 77095886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).