1-[2-(3-chlorophenyl)cyclopropanecarbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

C20H22ClN3O2S — CID 49263443

IUPAC1-[2-(3-chlorophenyl)cyclopropanecarbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCc1csc(NC(=O)C2CCN(C(=O)C3CC3c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C20H22ClN3O2S/c1-12-11-27-20(22-12)23-18(25)13-5-7-24(8-6-13)19(26)17-10-16(17)14-3-2-4-15(21)9-14/h2-4,9,11,13,16-17H,5-8,10H2,1H3,(H,22,23,25)
InChIKeyADMSRWZAWSHULN-UHFFFAOYSA-N
MW403.94 g/mol
LogP4.09
Rot. Bonds4

About 1-[2-(3-chlorophenyl)cyclopropanecarbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

1-[2-(3-chlorophenyl)cyclopropanecarbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 49263443) has the molecular formula C20H22ClN3O2S and a molecular weight of 403.94 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)cyclopropanecarbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)cyclopropanecarbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID49263443
Molecular FormulaC20H22ClN3O2S
Molecular Weight403.94 g/mol
Exact Mass403.11
IUPAC Name1-[2-(3-chlorophenyl)cyclopropanecarbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCc1csc(NC(=O)C2CCN(C(=O)C3CC3c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C20H22ClN3O2S/c1-12-11-27-20(22-12)23-18(25)13-5-7-24(8-6-13)19(26)17-10-16(17)14-3-2-4-15(21)9-14/h2-4,9,11,13,16-17H,5-8,10H2,1H3,(H,22,23,25)
InChIKeyADMSRWZAWSHULN-UHFFFAOYSA-N
XLogP4.09
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.94
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(3-chlorophenyl)cyclopropanecarbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-aminopiperidin-1-yl)-[2-(3-chlorophenyl)cyclopropyl]methanone
CID 119374366
[4-(aminomethyl)piperidin-1-yl]-[2-(3-chlorophenyl)cyclopropyl]methanone
CID 119423325
1-[2-(3-chlorophenyl)cyclopropanecarbonyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 49161889
1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952272
1-(2-bromobenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952652
[(1R,2R)-2-(3-chlorophenyl)cyclopropyl]-(1,4-thiazepan-4-yl)methanone
CID 52910524
N-(4-methyl-1,3-thiazol-2-yl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118731
[2-(3-chlorophenyl)cyclopropyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119489930
4-N-methyl-1-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
CID 47194180
1-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 97012183
[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 97077110
1-(4-bromo-2-methylbenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952035

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)cyclopropanecarbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(3-chlorophenyl)cyclopropanecarbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 49263443) is 1-[2-(3-chlorophenyl)cyclopropanecarbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3-chlorophenyl)cyclopropanecarbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3-chlorophenyl)cyclopropanecarbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is Cc1csc(NC(=O)C2CCN(C(=O)C3CC3c3cccc(Cl)c3)CC2)n1.
What is the InChIKey of 1-[2-(3-chlorophenyl)cyclopropanecarbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is ADMSRWZAWSHULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2S/c1-12-11-27-20(22-12)23-18(25)13-5-7-24(8-6-13)19(26)17-10-16(17)14-3-2-4-15(21)9-14/h2-4,9,11,13,16-17H,5-8,10H2,1H3,(H,22,23,25).
What are the key properties of 1-[2-(3-chlorophenyl)cyclopropanecarbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-[2-(3-chlorophenyl)cyclopropanecarbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 403.94 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)cyclopropanecarbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 49263443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).