1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide

C18H30N4O3S — CID 4074310

IUPAC1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NC2CCCCC2C)CC1
InChIInChI=1S/C18H30N4O3S/c1-12-6-4-5-7-16(12)19-18(23)15-8-10-22(11-9-15)26(24,25)17-13(2)20-21-14(17)3/h12,15-16H,4-11H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyUXCPLZKPIOTNTQ-UHFFFAOYSA-N
MW382.53 g/mol
LogP2.12
Rot. Bonds4

About 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide (PubChem CID 4074310) has the molecular formula C18H30N4O3S and a molecular weight of 382.53 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide
PubChem CID4074310
Molecular FormulaC18H30N4O3S
Molecular Weight382.53 g/mol
Exact Mass382.20
IUPAC Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NC2CCCCC2C)CC1
InChIInChI=1S/C18H30N4O3S/c1-12-6-4-5-7-16(12)19-18(23)15-8-10-22(11-9-15)26(24,25)17-13(2)20-21-14(17)3/h12,15-16H,4-11H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyUXCPLZKPIOTNTQ-UHFFFAOYSA-N
XLogP2.12
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide (CID 4074310) is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide is Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NC2CCCCC2C)CC1.
What is the InChIKey of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide?
The InChIKey is UXCPLZKPIOTNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3S/c1-12-6-4-5-7-16(12)19-18(23)15-8-10-22(11-9-15)26(24,25)17-13(2)20-21-14(17)3/h12,15-16H,4-11H2,1-3H3,(H,19,23)(H,20,21).
What are the key properties of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide?
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide has a molecular weight of 382.53 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide is sourced from PubChem (CID 4074310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).