(3R)-N-cyclopropyl-1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide

C19H21N3O2S — CID 94352886

IUPAC(3R)-N-cyclopropyl-1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide
SMILESO=C(NC1CC1)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3)n2)C1
InChIInChI=1S/C19H21N3O2S/c23-17(20-15-8-9-15)14-7-4-10-22(11-14)19(24)16-12-25-18(21-16)13-5-2-1-3-6-13/h1-3,5-6,12,14-15H,4,7-11H2,(H,20,23)/t14-/m1/s1
InChIKeyIRZVZVSVXSUPDY-CQSZACIVSA-N
MW355.46 g/mol
LogP2.94
Rot. Bonds4

About (3R)-N-cyclopropyl-1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide

(3R)-N-cyclopropyl-1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide (PubChem CID 94352886) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is (3R)-N-cyclopropyl-1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclopropyl-1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide
PubChem CID94352886
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name(3R)-N-cyclopropyl-1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide
SMILESO=C(NC1CC1)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3)n2)C1
InChIInChI=1S/C19H21N3O2S/c23-17(20-15-8-9-15)14-7-4-10-22(11-14)19(24)16-12-25-18(21-16)13-5-2-1-3-6-13/h1-3,5-6,12,14-15H,4,7-11H2,(H,20,23)/t14-/m1/s1
InChIKeyIRZVZVSVXSUPDY-CQSZACIVSA-N
XLogP2.94
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-cyclopropyl-1-(5-phenylthiadiazole-4-carbonyl)piperidine-3-carboxamide
CID 100815683
(2-phenyl-1,3-thiazol-4-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 40856160
N-(2-aminoethyl)-1-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide
CID 119481732
[1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51286859
(3S)-1-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119112072
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 58924870
1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119167775
N-(2-aminoethyl)-1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide
CID 119480398
(3S)-1-[2-(4-nitrophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119174310
1-[2-(4-nitrophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119167916
(3R)-1-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 99623059
N-cyclopropyl-1-(3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbonyl)piperidine-3-carboxamide
CID 49351637

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclopropyl-1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-cyclopropyl-1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide (CID 94352886) is (3R)-N-cyclopropyl-1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-cyclopropyl-1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-cyclopropyl-1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide is O=C(NC1CC1)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3)n2)C1.
What is the InChIKey of (3R)-N-cyclopropyl-1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide?
The InChIKey is IRZVZVSVXSUPDY-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21N3O2S/c23-17(20-15-8-9-15)14-7-4-10-22(11-14)19(24)16-12-25-18(21-16)13-5-2-1-3-6-13/h1-3,5-6,12,14-15H,4,7-11H2,(H,20,23)/t14-/m1/s1.
What are the key properties of (3R)-N-cyclopropyl-1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide?
(3R)-N-cyclopropyl-1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclopropyl-1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 94352886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).