N-(3-methylsulfanylcyclohexyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

C16H27ClN4OS — CID 120934039

IUPACN-(3-methylsulfanylcyclohexyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCSC1CCCC(NC(=O)C2(n3cccn3)CCNCC2)C1.Cl
InChIInChI=1S/C16H26N4OS.ClH/c1-22-14-5-2-4-13(12-14)19-15(21)16(6-9-17-10-7-16)20-11-3-8-18-20;/h3,8,11,13-14,17H,2,4-7,9-10,12H2,1H3,(H,19,21);1H
InChIKeyOKQCIQJHCPLQLS-UHFFFAOYSA-N
MW358.94 g/mol
LogP2.17
Rot. Bonds4

About N-(3-methylsulfanylcyclohexyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

N-(3-methylsulfanylcyclohexyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120934039) has the molecular formula C16H27ClN4OS and a molecular weight of 358.94 g/mol. Its IUPAC name is N-(3-methylsulfanylcyclohexyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-methylsulfanylcyclohexyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120934039
Molecular FormulaC16H27ClN4OS
Molecular Weight358.94 g/mol
Exact Mass358.16
IUPAC NameN-(3-methylsulfanylcyclohexyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCSC1CCCC(NC(=O)C2(n3cccn3)CCNCC2)C1.Cl
InChIInChI=1S/C16H26N4OS.ClH/c1-22-14-5-2-4-13(12-14)19-15(21)16(6-9-17-10-7-16)20-11-3-8-18-20;/h3,8,11,13-14,17H,2,4-7,9-10,12H2,1H3,(H,19,21);1H
InChIKeyOKQCIQJHCPLQLS-UHFFFAOYSA-N
XLogP2.17
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.94
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylcyclohexyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-methylsulfanylcyclohexyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120934039) is N-(3-methylsulfanylcyclohexyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-methylsulfanylcyclohexyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-methylsulfanylcyclohexyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is CSC1CCCC(NC(=O)C2(n3cccn3)CCNCC2)C1.Cl.
What is the InChIKey of N-(3-methylsulfanylcyclohexyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is OKQCIQJHCPLQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4OS.ClH/c1-22-14-5-2-4-13(12-14)19-15(21)16(6-9-17-10-7-16)20-11-3-8-18-20;/h3,8,11,13-14,17H,2,4-7,9-10,12H2,1H3,(H,19,21);1H.
What are the key properties of N-(3-methylsulfanylcyclohexyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-(3-methylsulfanylcyclohexyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 358.94 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylcyclohexyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120934039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).