1-cyclohexyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide

C17H27N3OS — CID 72844101

IUPAC1-cyclohexyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
SMILESCc1csc(CNC(=O)C2CCN(C3CCCCC3)CC2)n1
InChIInChI=1S/C17H27N3OS/c1-13-12-22-16(19-13)11-18-17(21)14-7-9-20(10-8-14)15-5-3-2-4-6-15/h12,14-15H,2-11H2,1H3,(H,18,21)
InChIKeyKLJXOVSHMSPOPL-UHFFFAOYSA-N
MW321.49 g/mol
LogP3.11
Rot. Bonds4

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

1-cyclohexyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 72844101) has the molecular formula C17H27N3OS and a molecular weight of 321.49 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
PubChem CID72844101
Molecular FormulaC17H27N3OS
Molecular Weight321.49 g/mol
Exact Mass321.19
IUPAC Name1-cyclohexyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
SMILESCc1csc(CNC(=O)C2CCN(C3CCCCC3)CC2)n1
InChIInChI=1S/C17H27N3OS/c1-13-12-22-16(19-13)11-18-17(21)14-7-9-20(10-8-14)15-5-3-2-4-6-15/h12,14-15H,2-11H2,1H3,(H,18,21)
InChIKeyKLJXOVSHMSPOPL-UHFFFAOYSA-N
XLogP3.11
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methylsulfonyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
CID 51323360
N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
CID 61044449
N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 119839235
tert-butyl 3-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidine-1-carboxylate
CID 47017638
5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 42344586
2-[(cycloheptanecarbonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66380665
3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 66008151
(3S)-1-(3,5-dimethylbenzoyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide
CID 51959451
N-[2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]cyclopropanecarboxamide
CID 115633613
(3S)-1-cyclopentyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-6-oxopiperidine-3-carboxamide
CID 97141950
(3R)-1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120311
(2R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide;dihydrochloride
CID 119839231

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-cyclohexyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide (CID 72844101) is 1-cyclohexyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide is Cc1csc(CNC(=O)C2CCN(C3CCCCC3)CC2)n1.
What is the InChIKey of 1-cyclohexyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is KLJXOVSHMSPOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3OS/c1-13-12-22-16(19-13)11-18-17(21)14-7-9-20(10-8-14)15-5-3-2-4-6-15/h12,14-15H,2-11H2,1H3,(H,18,21).
What are the key properties of 1-cyclohexyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide?
1-cyclohexyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 321.49 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 72844101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).