N-(cyclopropylmethyl)-1-methylsulfonyl-4-pyrazol-1-ylpiperidine-4-carboxamide

C14H22N4O3S — CID 155874326

IUPACN-(cyclopropylmethyl)-1-methylsulfonyl-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1
InChIInChI=1S/C14H22N4O3S/c1-22(20,21)17-9-5-14(6-10-17,18-8-2-7-16-18)13(19)15-11-12-3-4-12/h2,7-8,12H,3-6,9-11H2,1H3,(H,15,19)
InChIKeyZBFKAGYSABMYQH-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.16
Rot. Bonds5

About N-(cyclopropylmethyl)-1-methylsulfonyl-4-pyrazol-1-ylpiperidine-4-carboxamide

N-(cyclopropylmethyl)-1-methylsulfonyl-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 155874326) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-methylsulfonyl-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-methylsulfonyl-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID155874326
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC NameN-(cyclopropylmethyl)-1-methylsulfonyl-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1
InChIInChI=1S/C14H22N4O3S/c1-22(20,21)17-9-5-14(6-10-17,18-8-2-7-16-18)13(19)15-11-12-3-4-12/h2,7-8,12H,3-6,9-11H2,1H3,(H,15,19)
InChIKeyZBFKAGYSABMYQH-UHFFFAOYSA-N
XLogP0.16
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-methylsulfonyl-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-methylsulfonyl-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 155874326) is N-(cyclopropylmethyl)-1-methylsulfonyl-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-methylsulfonyl-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-methylsulfonyl-4-pyrazol-1-ylpiperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-1-methylsulfonyl-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is ZBFKAGYSABMYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-22(20,21)17-9-5-14(6-10-17,18-8-2-7-16-18)13(19)15-11-12-3-4-12/h2,7-8,12H,3-6,9-11H2,1H3,(H,15,19).
What are the key properties of N-(cyclopropylmethyl)-1-methylsulfonyl-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-(cyclopropylmethyl)-1-methylsulfonyl-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-methylsulfonyl-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 155874326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).