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

C19H32N4O3S — CID 5307483

IUPACN-cycloheptyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC(C(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C19H32N4O3S/c1-14-18(15(2)22(3)21-14)27(25,26)23-12-10-16(11-13-23)19(24)20-17-8-6-4-5-7-9-17/h16-17H,4-13H2,1-3H3,(H,20,24)
InChIKeyIZCCBAHCURDZKE-UHFFFAOYSA-N
MW396.56 g/mol
LogP2.28
Rot. Bonds4

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

N-cycloheptyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 5307483) has the molecular formula C19H32N4O3S and a molecular weight of 396.56 g/mol. Its IUPAC name is N-cycloheptyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
PubChem CID5307483
Molecular FormulaC19H32N4O3S
Molecular Weight396.56 g/mol
Exact Mass396.22
IUPAC NameN-cycloheptyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC(C(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C19H32N4O3S/c1-14-18(15(2)22(3)21-14)27(25,26)23-12-10-16(11-13-23)19(24)20-17-8-6-4-5-7-9-17/h16-17H,4-13H2,1-3H3,(H,20,24)
InChIKeyIZCCBAHCURDZKE-UHFFFAOYSA-N
XLogP2.28
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cycloheptyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-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 N-cycloheptyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide (CID 5307483) is N-cycloheptyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide is Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(C(=O)NC2CCCCCC2)CC1.
What is the InChIKey of N-cycloheptyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is IZCCBAHCURDZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3S/c1-14-18(15(2)22(3)21-14)27(25,26)23-12-10-16(11-13-23)19(24)20-17-8-6-4-5-7-9-17/h16-17H,4-13H2,1-3H3,(H,20,24).
What are the key properties of N-cycloheptyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide?
N-cycloheptyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 396.56 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 5307483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).