N-(1-cyclopropylpiperidin-4-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide

C24H37N3O3S — CID 26131040

IUPACN-(1-cyclopropylpiperidin-4-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NC3CCN(C4CC4)CC3)CC2)c1C
InChIInChI=1S/C24H37N3O3S/c1-16-15-17(2)19(4)23(18(16)3)31(29,30)27-13-7-20(8-14-27)24(28)25-21-9-11-26(12-10-21)22-5-6-22/h15,20-22H,5-14H2,1-4H3,(H,25,28)
InChIKeyNRKCUSIACAFAQV-UHFFFAOYSA-N
MW447.65 g/mol
LogP3.06
Rot. Bonds5

About N-(1-cyclopropylpiperidin-4-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide

N-(1-cyclopropylpiperidin-4-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 26131040) has the molecular formula C24H37N3O3S and a molecular weight of 447.65 g/mol. Its IUPAC name is N-(1-cyclopropylpiperidin-4-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylpiperidin-4-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID26131040
Molecular FormulaC24H37N3O3S
Molecular Weight447.65 g/mol
Exact Mass447.26
IUPAC NameN-(1-cyclopropylpiperidin-4-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NC3CCN(C4CC4)CC3)CC2)c1C
InChIInChI=1S/C24H37N3O3S/c1-16-15-17(2)19(4)23(18(16)3)31(29,30)27-13-7-20(8-14-27)24(28)25-21-9-11-26(12-10-21)22-5-6-22/h15,20-22H,5-14H2,1-4H3,(H,25,28)
InChIKeyNRKCUSIACAFAQV-UHFFFAOYSA-N
XLogP3.06
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.65
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-cyclopropylpiperidin-4-yl)-1-(2,3,5,6-tetramethylphenyl)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

Related Compounds

1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 6462654
1-[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-4-yl]-N-(3-hydroxycyclobutyl)piperidine-4-carboxamide
CID 171676207
N-(3-aminopropyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 119405340
N-[3-(methylamino)propyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119430053
N-[2-(ethylamino)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119505200
N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55336646
1-acetyl-N-(1-cyclopropylpiperidin-4-yl)piperidine-4-carboxamide
CID 110750203
N-(3-ethoxypropyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 27680479
N-(2-methyl-4-pyridinyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 112803594
N-[(3,5-dimethoxyphenyl)methyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 46590373
N-(1-cyclopropylpiperidin-4-yl)cyclopentanecarboxamide
CID 110750777
N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 154834956

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide (CID 26131040) is N-(1-cyclopropylpiperidin-4-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1-cyclopropylpiperidin-4-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(1-cyclopropylpiperidin-4-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NC3CCN(C4CC4)CC3)CC2)c1C.
What is the InChIKey of N-(1-cyclopropylpiperidin-4-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is NRKCUSIACAFAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O3S/c1-16-15-17(2)19(4)23(18(16)3)31(29,30)27-13-7-20(8-14-27)24(28)25-21-9-11-26(12-10-21)22-5-6-22/h15,20-22H,5-14H2,1-4H3,(H,25,28).
What are the key properties of N-(1-cyclopropylpiperidin-4-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
N-(1-cyclopropylpiperidin-4-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 447.65 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpiperidin-4-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 26131040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).