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

C17H28N4O3S — CID 5307491

IUPACN-cyclohexyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C17H28N4O3S/c1-12-16(13(2)20-19-12)25(23,24)21-10-6-7-14(11-21)17(22)18-15-8-4-3-5-9-15/h14-15H,3-11H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyFJIIZDDYFJKOIH-UHFFFAOYSA-N
MW368.50 g/mol
LogP1.88
Rot. Bonds4

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

N-cyclohexyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide (PubChem CID 5307491) has the molecular formula C17H28N4O3S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-cyclohexyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
PubChem CID5307491
Molecular FormulaC17H28N4O3S
Molecular Weight368.50 g/mol
Exact Mass368.19
IUPAC NameN-cyclohexyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C17H28N4O3S/c1-12-16(13(2)20-19-12)25(23,24)21-10-6-7-14(11-21)17(22)18-15-8-4-3-5-9-15/h14-15H,3-11H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyFJIIZDDYFJKOIH-UHFFFAOYSA-N
XLogP1.88
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide (CID 5307491) is N-cyclohexyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide is Cc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)NC2CCCCC2)C1.
What is the InChIKey of N-cyclohexyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide?
The InChIKey is FJIIZDDYFJKOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3S/c1-12-16(13(2)20-19-12)25(23,24)21-10-6-7-14(11-21)17(22)18-15-8-4-3-5-9-15/h14-15H,3-11H2,1-2H3,(H,18,22)(H,19,20).
What are the key properties of N-cyclohexyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide?
N-cyclohexyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide has a molecular weight of 368.50 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide is sourced from PubChem (CID 5307491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).