(2R)-N-(4-cyanophenyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide

C16H16N4OS — CID 99818290

IUPAC(2R)-N-(4-cyanophenyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
SMILESN#Cc1ccc(NC(=O)N2CCCC[C@@H]2c2nccs2)cc1
InChIInChI=1S/C16H16N4OS/c17-11-12-4-6-13(7-5-12)19-16(21)20-9-2-1-3-14(20)15-18-8-10-22-15/h4-8,10,14H,1-3,9H2,(H,19,21)/t14-/m1/s1
InChIKeyVPVFHWMMUNKDRC-CQSZACIVSA-N
MW312.40 g/mol
LogP3.77
Rot. Bonds2

About (2R)-N-(4-cyanophenyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide

(2R)-N-(4-cyanophenyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide (PubChem CID 99818290) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is (2R)-N-(4-cyanophenyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-cyanophenyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
PubChem CID99818290
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name(2R)-N-(4-cyanophenyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
SMILESN#Cc1ccc(NC(=O)N2CCCC[C@@H]2c2nccs2)cc1
InChIInChI=1S/C16H16N4OS/c17-11-12-4-6-13(7-5-12)19-16(21)20-9-2-1-3-14(20)15-18-8-10-22-15/h4-8,10,14H,1-3,9H2,(H,19,21)/t14-/m1/s1
InChIKeyVPVFHWMMUNKDRC-CQSZACIVSA-N
XLogP3.77
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(3-cyanophenyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 99818294
(2R)-N-(1,3-benzodioxol-5-yl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 97283745
(2S)-N-(6-methoxy-3-pyridinyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 97434584
(2R)-N-(2,6-difluorophenyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 97445838
N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 118780330
(2R)-N-(4-cyanophenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepane-1-carboxamide
CID 97343526
2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 66584691
N-(4-cyanophenyl)-2-oxo-2-[(2R)-2-pyridin-4-ylazepan-1-yl]acetamide
CID 129402957
N-(4-cyanophenyl)-2-(methylaminomethyl)piperidine-1-carboxamide
CID 63250320
(2R)-N-(2-propan-2-ylsulfanylethyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 125143068
(2R)-N-(2-methylquinolin-5-yl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 125174117
3-[(2R)-1-[(4-cyanophenyl)carbamoyl]pyrrolidin-2-yl]benzoic acid
CID 66653144

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-cyanophenyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of (2R)-N-(4-cyanophenyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide (CID 99818290) is (2R)-N-(4-cyanophenyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(4-cyanophenyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for (2R)-N-(4-cyanophenyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide is N#Cc1ccc(NC(=O)N2CCCC[C@@H]2c2nccs2)cc1.
What is the InChIKey of (2R)-N-(4-cyanophenyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is VPVFHWMMUNKDRC-CQSZACIVSA-N. The full InChI is InChI=1S/C16H16N4OS/c17-11-12-4-6-13(7-5-12)19-16(21)20-9-2-1-3-14(20)15-18-8-10-22-15/h4-8,10,14H,1-3,9H2,(H,19,21)/t14-/m1/s1.
What are the key properties of (2R)-N-(4-cyanophenyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide?
(2R)-N-(4-cyanophenyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 312.40 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-cyanophenyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 99818290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).