1-cyclohexyl-N-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]piperidine-4-carboxamide

C18H29N3OS — CID 72863602

IUPAC1-cyclohexyl-N-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]piperidine-4-carboxamide
SMILESCC(c1cncs1)N(C)C(=O)C1CCN(C2CCCCC2)CC1
InChIInChI=1S/C18H29N3OS/c1-14(17-12-19-13-23-17)20(2)18(22)15-8-10-21(11-9-15)16-6-4-3-5-7-16/h12-16H,3-11H2,1-2H3
InChIKeyCYJSVMHGIXLDPD-UHFFFAOYSA-N
MW335.52 g/mol
LogP3.71
Rot. Bonds4

About 1-cyclohexyl-N-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]piperidine-4-carboxamide

1-cyclohexyl-N-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]piperidine-4-carboxamide (PubChem CID 72863602) has the molecular formula C18H29N3OS and a molecular weight of 335.52 g/mol. Its IUPAC name is 1-cyclohexyl-N-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]piperidine-4-carboxamide
PubChem CID72863602
Molecular FormulaC18H29N3OS
Molecular Weight335.52 g/mol
Exact Mass335.20
IUPAC Name1-cyclohexyl-N-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]piperidine-4-carboxamide
SMILESCC(c1cncs1)N(C)C(=O)C1CCN(C2CCCCC2)CC1
InChIInChI=1S/C18H29N3OS/c1-14(17-12-19-13-23-17)20(2)18(22)15-8-10-21(11-9-15)16-6-4-3-5-7-16/h12-16H,3-11H2,1-2H3
InChIKeyCYJSVMHGIXLDPD-UHFFFAOYSA-N
XLogP3.71
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.52
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-cyclohexyl-N-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]piperidine-4-carboxamide (CID 72863602) is 1-cyclohexyl-N-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]piperidine-4-carboxamide is CC(c1cncs1)N(C)C(=O)C1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-N-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is CYJSVMHGIXLDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3OS/c1-14(17-12-19-13-23-17)20(2)18(22)15-8-10-21(11-9-15)16-6-4-3-5-7-16/h12-16H,3-11H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]piperidine-4-carboxamide?
1-cyclohexyl-N-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 335.52 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 72863602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).