2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-methyl-N-prop-2-ynyl-1,3-thiazole-4-carboxamide

C20H27N3O2S — CID 3499057

IUPAC2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-methyl-N-prop-2-ynyl-1,3-thiazole-4-carboxamide
SMILESC#CCN(C)C(=O)c1csc(C2CCN(C(=O)C3CCCCC3)CC2)n1
InChIInChI=1S/C20H27N3O2S/c1-3-11-22(2)20(25)17-14-26-18(21-17)15-9-12-23(13-10-15)19(24)16-7-5-4-6-8-16/h1,14-16H,4-13H2,2H3
InChIKeyVRBVEGQYOXRIPP-UHFFFAOYSA-N
MW373.52 g/mol
LogP3.13
Rot. Bonds4

About 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-methyl-N-prop-2-ynyl-1,3-thiazole-4-carboxamide

2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-methyl-N-prop-2-ynyl-1,3-thiazole-4-carboxamide (PubChem CID 3499057) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-methyl-N-prop-2-ynyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-methyl-N-prop-2-ynyl-1,3-thiazole-4-carboxamide
PubChem CID3499057
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-methyl-N-prop-2-ynyl-1,3-thiazole-4-carboxamide
SMILESC#CCN(C)C(=O)c1csc(C2CCN(C(=O)C3CCCCC3)CC2)n1
InChIInChI=1S/C20H27N3O2S/c1-3-11-22(2)20(25)17-14-26-18(21-17)15-9-12-23(13-10-15)19(24)16-7-5-4-6-8-16/h1,14-16H,4-13H2,2H3
InChIKeyVRBVEGQYOXRIPP-UHFFFAOYSA-N
XLogP3.13
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-prop-2-ynyl-2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3824098
2-[1-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperidin-4-yl]-N-methyl-N-prop-2-ynyl-1,3-thiazole-4-carboxamide
CID 3866975
1-[[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1,3-dimethylthiourea
CID 3770311
N-(1,3-benzodioxol-5-yl)-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-ethyl-1,3-thiazole-4-carboxamide
CID 3814797
N-(1-cyclohexylcyclopropyl)-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 141248256
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N'-(1,4-dimethylpiperazine-2-carbonyl)-1,3-thiazole-4-carbohydrazide
CID 5015255
cyclohexyl-[4-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone
CID 23732060
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N'-(2-phenoxyacetyl)-1,3-thiazole-4-carbohydrazide
CID 3329153
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-carboxamide
CID 23789984
4-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid
CID 66887389
prop-2-ynyl 4-[4-[methyl(1-phenylethyl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 4236976
methyl 2-[[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoate
CID 3338980

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-methyl-N-prop-2-ynyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-methyl-N-prop-2-ynyl-1,3-thiazole-4-carboxamide (CID 3499057) is 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-methyl-N-prop-2-ynyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-methyl-N-prop-2-ynyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-methyl-N-prop-2-ynyl-1,3-thiazole-4-carboxamide is C#CCN(C)C(=O)c1csc(C2CCN(C(=O)C3CCCCC3)CC2)n1.
What is the InChIKey of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-methyl-N-prop-2-ynyl-1,3-thiazole-4-carboxamide?
The InChIKey is VRBVEGQYOXRIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-3-11-22(2)20(25)17-14-26-18(21-17)15-9-12-23(13-10-15)19(24)16-7-5-4-6-8-16/h1,14-16H,4-13H2,2H3.
What are the key properties of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-methyl-N-prop-2-ynyl-1,3-thiazole-4-carboxamide?
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-methyl-N-prop-2-ynyl-1,3-thiazole-4-carboxamide has a molecular weight of 373.52 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-methyl-N-prop-2-ynyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3499057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).