1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid

C13H17N3O3S — CID 61480503

IUPAC1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)Nc2nc(C3CC3)cs2)C1
InChIInChI=1S/C13H17N3O3S/c17-11(18)9-2-1-5-16(6-9)13(19)15-12-14-10(7-20-12)8-3-4-8/h7-9H,1-6H2,(H,17,18)(H,14,15,19)
InChIKeyHEEFMIGKYVARHB-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.35
Rot. Bonds3

About 1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid

1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 61480503) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID61480503
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)Nc2nc(C3CC3)cs2)C1
InChIInChI=1S/C13H17N3O3S/c17-11(18)9-2-1-5-16(6-9)13(19)15-12-14-10(7-20-12)8-3-4-8/h7-9H,1-6H2,(H,17,18)(H,14,15,19)
InChIKeyHEEFMIGKYVARHB-UHFFFAOYSA-N
XLogP2.35
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide
CID 47200519
(3S)-1-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81118220
(3R)-1-benzoyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 98914630
N-(4-cyclopropyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 47200518
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylpiperidine-1-carboxamide
CID 47200504
1-[(4-ethyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122085919
1-(thieno[3,2-d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 122084976
(3S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81126323
1-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122079292
(3R)-1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81119979
(3R)-1-(2-cyclopropyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid
CID 124576560
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-oxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrimidine-1-carboxamide
CID 167967192

Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid (CID 61480503) is 1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)Nc2nc(C3CC3)cs2)C1.
What is the InChIKey of 1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is HEEFMIGKYVARHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c17-11(18)9-2-1-5-16(6-9)13(19)15-12-14-10(7-20-12)8-3-4-8/h7-9H,1-6H2,(H,17,18)(H,14,15,19).
What are the key properties of 1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid?
1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 295.36 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 61480503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).