N-cyclohexyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide

C18H30N4O3S — CID 3239697

IUPACN-cyclohexyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCCC(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C18H30N4O3S/c1-13-17(14(2)21(3)20-13)26(24,25)22-11-7-8-15(12-22)18(23)19-16-9-5-4-6-10-16/h15-16H,4-12H2,1-3H3,(H,19,23)
InChIKeyNGMIWVISLMBGJF-UHFFFAOYSA-N
MW382.53 g/mol
LogP1.89
Rot. Bonds4

About N-cyclohexyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide

N-cyclohexyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 3239697) has the molecular formula C18H30N4O3S and a molecular weight of 382.53 g/mol. Its IUPAC name is N-cyclohexyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
PubChem CID3239697
Molecular FormulaC18H30N4O3S
Molecular Weight382.53 g/mol
Exact Mass382.20
IUPAC NameN-cyclohexyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCCC(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C18H30N4O3S/c1-13-17(14(2)21(3)20-13)26(24,25)22-11-7-8-15(12-22)18(23)19-16-9-5-4-6-10-16/h15-16H,4-12H2,1-3H3,(H,19,23)
InChIKeyNGMIWVISLMBGJF-UHFFFAOYSA-N
XLogP1.89
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide (CID 3239697) is N-cyclohexyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide is Cc1nn(C)c(C)c1S(=O)(=O)N1CCCC(C(=O)NC2CCCCC2)C1.
What is the InChIKey of N-cyclohexyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is NGMIWVISLMBGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3S/c1-13-17(14(2)21(3)20-13)26(24,25)22-11-7-8-15(12-22)18(23)19-16-9-5-4-6-10-16/h15-16H,4-12H2,1-3H3,(H,19,23).
What are the key properties of N-cyclohexyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide?
N-cyclohexyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 382.53 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 3239697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).