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

C18H27N3O2S — CID 46390073

IUPAC1-(cyclohexanecarbonyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1cscn1)C1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C18H27N3O2S/c22-17(19-9-6-16-12-24-13-20-16)14-7-10-21(11-8-14)18(23)15-4-2-1-3-5-15/h12-15H,1-11H2,(H,19,22)
InChIKeyMTQOEHCUUPHURS-UHFFFAOYSA-N
MW349.50 g/mol
LogP2.62
Rot. Bonds5

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

1-(cyclohexanecarbonyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide (PubChem CID 46390073) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is 1-(cyclohexanecarbonyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclohexanecarbonyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
PubChem CID46390073
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name1-(cyclohexanecarbonyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1cscn1)C1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C18H27N3O2S/c22-17(19-9-6-16-12-24-13-20-16)14-7-10-21(11-8-14)18(23)15-4-2-1-3-5-15/h12-15H,1-11H2,(H,19,22)
InChIKeyMTQOEHCUUPHURS-UHFFFAOYSA-N
XLogP2.62
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyclopentylacetyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 46390075
1-(2-ethylbutanoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 46390074
1-(2-methoxybenzoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 46390077
2-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 55260652
1-cyclopentyl-3-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 84516169
1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 42514879
N-(2-benzamidoethyl)-1-(cyclohexanecarbonyl)piperidine-4-carboxamide
CID 46104007
N-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119842141
4-(1,3-thiazol-4-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63824173
1-(cyclobutanecarbonyl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide
CID 113003190
3-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 63825588
N-(2-aminoethyl)-1-(1,3-thiazol-4-ylmethyl)piperidine-3-carboxamide
CID 63253183

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexanecarbonyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclohexanecarbonyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide (CID 46390073) is 1-(cyclohexanecarbonyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclohexanecarbonyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclohexanecarbonyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide is O=C(NCCc1cscn1)C1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of 1-(cyclohexanecarbonyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is MTQOEHCUUPHURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c22-17(19-9-6-16-12-24-13-20-16)14-7-10-21(11-8-14)18(23)15-4-2-1-3-5-15/h12-15H,1-11H2,(H,19,22).
What are the key properties of 1-(cyclohexanecarbonyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
1-(cyclohexanecarbonyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 349.50 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexanecarbonyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 46390073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).