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

C17H25N3O2S — CID 32868205

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
SMILESCC(C)(C)C(=O)N1CCC(C(=O)Nc2nc(C3CC3)cs2)CC1
InChIInChI=1S/C17H25N3O2S/c1-17(2,3)15(22)20-8-6-12(7-9-20)14(21)19-16-18-13(10-23-16)11-4-5-11/h10-12H,4-9H2,1-3H3,(H,18,19,21)
InChIKeyKVGOVQBSOHGBHX-UHFFFAOYSA-N
MW335.47 g/mol
LogP3.24
Rot. Bonds3

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

N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide (PubChem CID 32868205) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
PubChem CID32868205
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
SMILESCC(C)(C)C(=O)N1CCC(C(=O)Nc2nc(C3CC3)cs2)CC1
InChIInChI=1S/C17H25N3O2S/c1-17(2,3)15(22)20-8-6-12(7-9-20)14(21)19-16-18-13(10-23-16)11-4-5-11/h10-12H,4-9H2,1-3H3,(H,18,19,21)
InChIKeyKVGOVQBSOHGBHX-UHFFFAOYSA-N
XLogP3.24
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,2-dimethylpropanoyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 55660589
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylpiperidine-1-carboxamide
CID 47200504
N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 32869236
2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylpropanamide;hydrochloride
CID 119292978
(3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)oxolane-3-carboxamide
CID 94211482
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide
CID 47200519
N-(4-cyclopropyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 47200518
2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylbutanamide
CID 79805640
2-(tert-butylamino)-N-(4-cyclopropyl-1,3-thiazol-2-yl)acetamide
CID 47842528
1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 61480503
1-(2,2-dimethylpropanoyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 18126290
N-(4-tert-butylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 27258911

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide (CID 32868205) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide is CC(C)(C)C(=O)N1CCC(C(=O)Nc2nc(C3CC3)cs2)CC1.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
The InChIKey is KVGOVQBSOHGBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-17(2,3)15(22)20-8-6-12(7-9-20)14(21)19-16-18-13(10-23-16)11-4-5-11/h10-12H,4-9H2,1-3H3,(H,18,19,21).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide has a molecular weight of 335.47 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 32868205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).