1-ethylsulfonyl-N-(1H-pyrazol-4-ylmethyl)piperidine-4-carboxamide

C12H20N4O3S — CID 60999793

IUPAC1-ethylsulfonyl-N-(1H-pyrazol-4-ylmethyl)piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCc2cn[nH]c2)CC1
InChIInChI=1S/C12H20N4O3S/c1-2-20(18,19)16-5-3-11(4-6-16)12(17)13-7-10-8-14-15-9-10/h8-9,11H,2-7H2,1H3,(H,13,17)(H,14,15)
InChIKeyKBTZPWNQOIDYQD-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.09
Rot. Bonds5

About 1-ethylsulfonyl-N-(1H-pyrazol-4-ylmethyl)piperidine-4-carboxamide

1-ethylsulfonyl-N-(1H-pyrazol-4-ylmethyl)piperidine-4-carboxamide (PubChem CID 60999793) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-(1H-pyrazol-4-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-(1H-pyrazol-4-ylmethyl)piperidine-4-carboxamide
PubChem CID60999793
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name1-ethylsulfonyl-N-(1H-pyrazol-4-ylmethyl)piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCc2cn[nH]c2)CC1
InChIInChI=1S/C12H20N4O3S/c1-2-20(18,19)16-5-3-11(4-6-16)12(17)13-7-10-8-14-15-9-10/h8-9,11H,2-7H2,1H3,(H,13,17)(H,14,15)
InChIKeyKBTZPWNQOIDYQD-UHFFFAOYSA-N
XLogP0.09
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-ethylsulfonyl-N-(1H-pyrazol-4-ylmethyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-(1H-pyrazol-4-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-(1H-pyrazol-4-ylmethyl)piperidine-4-carboxamide (CID 60999793) is 1-ethylsulfonyl-N-(1H-pyrazol-4-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-(1H-pyrazol-4-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-(1H-pyrazol-4-ylmethyl)piperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)NCc2cn[nH]c2)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-(1H-pyrazol-4-ylmethyl)piperidine-4-carboxamide?
The InChIKey is KBTZPWNQOIDYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-2-20(18,19)16-5-3-11(4-6-16)12(17)13-7-10-8-14-15-9-10/h8-9,11H,2-7H2,1H3,(H,13,17)(H,14,15).
What are the key properties of 1-ethylsulfonyl-N-(1H-pyrazol-4-ylmethyl)piperidine-4-carboxamide?
1-ethylsulfonyl-N-(1H-pyrazol-4-ylmethyl)piperidine-4-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-(1H-pyrazol-4-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 60999793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).