N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide

C18H23N3O2S — CID 51083875

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
SMILESCc1cc(C)cc(C(=O)N2CCCC(C(=O)NC3=NCCS3)C2)c1
InChIInChI=1S/C18H23N3O2S/c1-12-8-13(2)10-15(9-12)17(23)21-6-3-4-14(11-21)16(22)20-18-19-5-7-24-18/h8-10,14H,3-7,11H2,1-2H3,(H,19,20,22)
InChIKeyMBBUTUCMRMHCGE-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.37
Rot. Bonds2

About N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide (PubChem CID 51083875) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
PubChem CID51083875
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
SMILESCc1cc(C)cc(C(=O)N2CCCC(C(=O)NC3=NCCS3)C2)c1
InChIInChI=1S/C18H23N3O2S/c1-12-8-13(2)10-15(9-12)17(23)21-6-3-4-14(11-21)16(22)20-18-19-5-7-24-18/h8-10,14H,3-7,11H2,1-2H3,(H,19,20,22)
InChIKeyMBBUTUCMRMHCGE-UHFFFAOYSA-N
XLogP2.37
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(4-acetamidophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082860
(3R)-N-cyclooctyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082784
(3R)-1-(3,5-dimethylbenzoyl)-N-(2,5-dimethylphenyl)piperidine-3-carboxamide
CID 94082819
1-(3,5-dimethylbenzoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 46491452
(3S)-N-(2-bromophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94010502
1-(3,5-dimethylbenzoyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 46489523
1-(3,5-dimethylbenzoyl)-N-(3-methylbutan-2-yl)piperidine-3-carboxamide
CID 46488810
N-(2-aminophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119422003
(3S)-N-(4-bromo-3-methylphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082833
(3R)-N-(4-chloro-2-methylphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082776
(3S)-1-(3,5-dimethylbenzoyl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 94082813
S-[4-[[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56544317

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide (CID 51083875) is N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide is Cc1cc(C)cc(C(=O)N2CCCC(C(=O)NC3=NCCS3)C2)c1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide?
The InChIKey is MBBUTUCMRMHCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-12-8-13(2)10-15(9-12)17(23)21-6-3-4-14(11-21)16(22)20-18-19-5-7-24-18/h8-10,14H,3-7,11H2,1-2H3,(H,19,20,22).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 51083875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).