N-cyclopentyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide

C20H30N2O3S — CID 1090888

IUPACN-cyclopentyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NC3CCCC3)CC2)c(C)c1
InChIInChI=1S/C20H30N2O3S/c1-14-12-15(2)19(16(3)13-14)26(24,25)22-10-8-17(9-11-22)20(23)21-18-6-4-5-7-18/h12-13,17-18H,4-11H2,1-3H3,(H,21,23)
InChIKeyGTCLMQRKTATONI-UHFFFAOYSA-N
MW378.54 g/mol
LogP3.07
Rot. Bonds4

About N-cyclopentyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide

N-cyclopentyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 1090888) has the molecular formula C20H30N2O3S and a molecular weight of 378.54 g/mol. Its IUPAC name is N-cyclopentyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID1090888
Molecular FormulaC20H30N2O3S
Molecular Weight378.54 g/mol
Exact Mass378.20
IUPAC NameN-cyclopentyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NC3CCCC3)CC2)c(C)c1
InChIInChI=1S/C20H30N2O3S/c1-14-12-15(2)19(16(3)13-14)26(24,25)22-10-8-17(9-11-22)20(23)21-18-6-4-5-7-18/h12-13,17-18H,4-11H2,1-3H3,(H,21,23)
InChIKeyGTCLMQRKTATONI-UHFFFAOYSA-N
XLogP3.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Cycloheptyl-1-[(2,4,6-Trimethylphenyl)sulfonyl]piperidine-4-Carboxamide
CID 2110176
N-cyclohexyl-3-{4-[(isobutylamino)sulfonyl]phenyl}propanamide
CID 1210859
1-(4-methylphenyl)sulfonyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
CID 2450240
N-cyclohexyl-1-[(2,4,6-trimethylphenyl)sulfonyl]piperidine-4-carboxamide
CID 1090889
N-cyclohexyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 17486918
N-benzyl-1-(mesitylsulfonyl)piperidine-4-carboxamide
CID 21372902
N-(cyclohexylmethyl)-1-(2,4-dimethylbenzenesulfonyl)piperidine-4-carboxamide
CID 24241093
N-cyclooctyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26413325
N-cyclopentyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26697387
N-Cycloheptyl-1-((2,4-dimethylphenyl)sulfonyl)piperidine-4-carboxamide
CID 26711777
N-(1-adamantyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26910619
N-(cyclohexylmethyl)-1-(mesitylsulfonyl)piperidine-4-carboxamide
CID 30726432

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-cyclopentyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide (CID 1090888) is N-cyclopentyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NC3CCCC3)CC2)c(C)c1.
What is the InChIKey of N-cyclopentyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is GTCLMQRKTATONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3S/c1-14-12-15(2)19(16(3)13-14)26(24,25)22-10-8-17(9-11-22)20(23)21-18-6-4-5-7-18/h12-13,17-18H,4-11H2,1-3H3,(H,21,23).
What are the key properties of N-cyclopentyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
N-cyclopentyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 378.54 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 1090888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).