(3S)-1-(3,5-dimethylbenzoyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide

C20H25N3O2S — CID 51959451

IUPAC(3S)-1-(3,5-dimethylbenzoyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide
SMILESCc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NCc3nc(C)cs3)C2)c1
InChIInChI=1S/C20H25N3O2S/c1-13-7-14(2)9-17(8-13)20(25)23-6-4-5-16(11-23)19(24)21-10-18-22-15(3)12-26-18/h7-9,12,16H,4-6,10-11H2,1-3H3,(H,21,24)/t16-/m0/s1
InChIKeyNYOKHRQZGGWTQO-INIZCTEOSA-N
MW371.51 g/mol
LogP3.24
Rot. Bonds4

About (3S)-1-(3,5-dimethylbenzoyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide

(3S)-1-(3,5-dimethylbenzoyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide (PubChem CID 51959451) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is (3S)-1-(3,5-dimethylbenzoyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(3,5-dimethylbenzoyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide
PubChem CID51959451
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name(3S)-1-(3,5-dimethylbenzoyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide
SMILESCc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NCc3nc(C)cs3)C2)c1
InChIInChI=1S/C20H25N3O2S/c1-13-7-14(2)9-17(8-13)20(25)23-6-4-5-16(11-23)19(24)21-10-18-22-15(3)12-26-18/h7-9,12,16H,4-6,10-11H2,1-3H3,(H,21,24)/t16-/m0/s1
InChIKeyNYOKHRQZGGWTQO-INIZCTEOSA-N
XLogP3.24
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidine-1-carboxylate
CID 47017638
(3R)-1-(3,5-dimethylbenzoyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 94082845
(3R)-1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120311
(3R)-1-(3,5-dimethylbenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 94082808
1-(3,5-dimethylbenzoyl)-N-[2-(methylamino)ethyl]piperidine-3-carboxamide
CID 119500647
1-(3,5-dimethylbenzoyl)-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 47048010
1-(3,5-dimethylbenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 46488775
N-[(3,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 55792149
(3R)-N-butyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94010550
1-(3,5-dimethylbenzoyl)-N-[3-(methylamino)propyl]piperidine-3-carboxamide
CID 119430235
(3S)-1-(3,5-dimethylbenzoyl)-N-[(3,4,5-triethoxyphenyl)methyl]piperidine-3-carboxamide
CID 94082756
2-[[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244732

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3,5-dimethylbenzoyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(3,5-dimethylbenzoyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide (CID 51959451) is (3S)-1-(3,5-dimethylbenzoyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(3,5-dimethylbenzoyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(3,5-dimethylbenzoyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide is Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NCc3nc(C)cs3)C2)c1.
What is the InChIKey of (3S)-1-(3,5-dimethylbenzoyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide?
The InChIKey is NYOKHRQZGGWTQO-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-13-7-14(2)9-17(8-13)20(25)23-6-4-5-16(11-23)19(24)21-10-18-22-15(3)12-26-18/h7-9,12,16H,4-6,10-11H2,1-3H3,(H,21,24)/t16-/m0/s1.
What are the key properties of (3S)-1-(3,5-dimethylbenzoyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide?
(3S)-1-(3,5-dimethylbenzoyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3,5-dimethylbenzoyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 51959451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).