1-(2-methylbenzoyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide

C19H23N3O2S — CID 135093383

IUPAC1-(2-methylbenzoyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1CCC(C(=O)NCCc2nccs2)CC1
InChIInChI=1S/C19H23N3O2S/c1-14-4-2-3-5-16(14)19(24)22-11-7-15(8-12-22)18(23)21-9-6-17-20-10-13-25-17/h2-5,10,13,15H,6-9,11-12H2,1H3,(H,21,23)
InChIKeyQGZQQOJMQBKSTK-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.66
Rot. Bonds5

About 1-(2-methylbenzoyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide

1-(2-methylbenzoyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide (PubChem CID 135093383) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 1-(2-methylbenzoyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methylbenzoyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide
PubChem CID135093383
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name1-(2-methylbenzoyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1CCC(C(=O)NCCc2nccs2)CC1
InChIInChI=1S/C19H23N3O2S/c1-14-4-2-3-5-16(14)19(24)22-11-7-15(8-12-22)18(23)21-9-6-17-20-10-13-25-17/h2-5,10,13,15H,6-9,11-12H2,1H3,(H,21,23)
InChIKeyQGZQQOJMQBKSTK-UHFFFAOYSA-N
XLogP2.66
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-[1-(2-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide
CID 71841884
1-[1-(2-methylbenzoyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 42693604
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 18120735
N-[(4-fluorophenyl)methyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 7935481
N-[(4-chlorophenyl)methyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 2920836
1-(2-methylbenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602058
1-(naphthalene-1-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 17447647
1-[2-(methoxymethyl)benzoyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 60600032
1-(2-methoxybenzoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 46390077
cis-(1S,3R)-3-[2-(1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092307
1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 78900547
1-acetyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide
CID 110746479

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbenzoyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-methylbenzoyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide (CID 135093383) is 1-(2-methylbenzoyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methylbenzoyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-methylbenzoyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide is Cc1ccccc1C(=O)N1CCC(C(=O)NCCc2nccs2)CC1.
What is the InChIKey of 1-(2-methylbenzoyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is QGZQQOJMQBKSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-14-4-2-3-5-16(14)19(24)22-11-7-15(8-12-22)18(23)21-9-6-17-20-10-13-25-17/h2-5,10,13,15H,6-9,11-12H2,1H3,(H,21,23).
What are the key properties of 1-(2-methylbenzoyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide?
1-(2-methylbenzoyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbenzoyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 135093383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).