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

C18H27N3O2S — CID 46390075

IUPAC1-(2-cyclopentylacetyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1cscn1)C1CCN(C(=O)CC2CCCC2)CC1
InChIInChI=1S/C18H27N3O2S/c22-17(11-14-3-1-2-4-14)21-9-6-15(7-10-21)18(23)19-8-5-16-12-24-13-20-16/h12-15H,1-11H2,(H,19,23)
InChIKeyMVQOZCNSECJSRG-UHFFFAOYSA-N
MW349.50 g/mol
LogP2.62
Rot. Bonds6

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

1-(2-cyclopentylacetyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide (PubChem CID 46390075) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is 1-(2-cyclopentylacetyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyclopentylacetyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
PubChem CID46390075
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name1-(2-cyclopentylacetyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1cscn1)C1CCN(C(=O)CC2CCCC2)CC1
InChIInChI=1S/C18H27N3O2S/c22-17(11-14-3-1-2-4-14)21-9-6-15(7-10-21)18(23)19-8-5-16-12-24-13-20-16/h12-15H,1-11H2,(H,19,23)
InChIKeyMVQOZCNSECJSRG-UHFFFAOYSA-N
XLogP2.62
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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-(cyclohexanecarbonyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 46390073
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
N-(cyclopentylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63830953
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
tert-butyl 4-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]piperidine-1-carboxylate
CID 103730250
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
2-[1-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 63825245
1-piperidin-1-yl-3-(1,3-thiazol-4-ylmethylamino)propan-1-one
CID 112686333

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentylacetyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-cyclopentylacetyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide (CID 46390075) is 1-(2-cyclopentylacetyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-cyclopentylacetyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-cyclopentylacetyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide is O=C(NCCc1cscn1)C1CCN(C(=O)CC2CCCC2)CC1.
What is the InChIKey of 1-(2-cyclopentylacetyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is MVQOZCNSECJSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c22-17(11-14-3-1-2-4-14)21-9-6-15(7-10-21)18(23)19-8-5-16-12-24-13-20-16/h12-15H,1-11H2,(H,19,23).
What are the key properties of 1-(2-cyclopentylacetyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
1-(2-cyclopentylacetyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 349.50 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentylacetyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 46390075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).