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

C19H21N3O2S — CID 98914630

IUPAC(3R)-1-benzoyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nc(C2CC2)cs1)[C@@H]1CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C19H21N3O2S/c23-17(21-19-20-16(12-25-19)13-8-9-13)15-7-4-10-22(11-15)18(24)14-5-2-1-3-6-14/h1-3,5-6,12-13,15H,4,7-11H2,(H,20,21,23)/t15-/m1/s1
InChIKeyXYNYDBBFCRTTOA-OAHLLOKOSA-N
MW355.46 g/mol
LogP3.51
Rot. Bonds4

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

(3R)-1-benzoyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 98914630) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is (3R)-1-benzoyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-benzoyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID98914630
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name(3R)-1-benzoyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nc(C2CC2)cs1)[C@@H]1CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C19H21N3O2S/c23-17(21-19-20-16(12-25-19)13-8-9-13)15-7-4-10-22(11-15)18(24)14-5-2-1-3-6-14/h1-3,5-6,12-13,15H,4,7-11H2,(H,20,21,23)/t15-/m1/s1
InChIKeyXYNYDBBFCRTTOA-OAHLLOKOSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 61480503
N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 46593797
(3S)-1-(4-chlorobenzoyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 27282898
N-[4-[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]-1,3-thiazol-2-yl]acetamide
CID 95828395
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide
CID 47200519
1-benzoyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 136524415
(3R)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 40792019
N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 32869236
(2S)-2-[(1-benzoylpiperidine-3-carbonyl)amino]propanoic acid
CID 119238223
N-(6-amino-3-pyridinyl)-1-benzoylpiperidine-3-carboxamide
CID 119516397
1-benzoyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)piperidine-3-carboxamide;hydrochloride
CID 120644621
(2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 94162909

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzoyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-benzoyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 98914630) is (3R)-1-benzoyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-benzoyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-benzoyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)piperidine-3-carboxamide is O=C(Nc1nc(C2CC2)cs1)[C@@H]1CCCN(C(=O)c2ccccc2)C1.
What is the InChIKey of (3R)-1-benzoyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is XYNYDBBFCRTTOA-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21N3O2S/c23-17(21-19-20-16(12-25-19)13-8-9-13)15-7-4-10-22(11-15)18(24)14-5-2-1-3-6-14/h1-3,5-6,12-13,15H,4,7-11H2,(H,20,21,23)/t15-/m1/s1.
What are the key properties of (3R)-1-benzoyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
(3R)-1-benzoyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzoyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 98914630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).