N-[2-(4-methylphenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide

C19H29N3O3S — CID 3236510

IUPACN-[2-(4-methylphenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESCc1ccc(CCNC(=O)C2CCN(S(=O)(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C19H29N3O3S/c1-16-4-6-17(7-5-16)8-11-20-19(23)18-9-14-22(15-10-18)26(24,25)21-12-2-3-13-21/h4-7,18H,2-3,8-15H2,1H3,(H,20,23)
InChIKeyLXRDHBLLOJHXJG-UHFFFAOYSA-N
MW379.53 g/mol
LogP1.71
Rot. Bonds6

About N-[2-(4-methylphenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide

N-[2-(4-methylphenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide (PubChem CID 3236510) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
PubChem CID3236510
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC NameN-[2-(4-methylphenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESCc1ccc(CCNC(=O)C2CCN(S(=O)(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C19H29N3O3S/c1-16-4-6-17(7-5-16)8-11-20-19(23)18-9-14-22(15-10-18)26(24,25)21-12-2-3-13-21/h4-7,18H,2-3,8-15H2,1H3,(H,20,23)
InChIKeyLXRDHBLLOJHXJG-UHFFFAOYSA-N
XLogP1.71
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethoxypropyl)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 3240267
1-[(diethylamino)sulfonyl]-N-(4-fluorobenzyl)piperidine-4-carboxamide
CID 3240785
N~1~,N~1~-dimethyl-N~4~-[2-(4-methylphenyl)ethyl]piperidine-1,4-dicarboxamide
CID 3240797
N-(1-methyl-3-phenylpropyl)-1-(piperidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3241593
N-[2-(4-chlorophenyl)ethyl]-1-(pyrrolidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3242081
1-(azepan-1-ylsulfonyl)-N-benzylpiperidine-4-carboxamide
CID 3242107
1-(azepan-1-ylsulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 3243193
1-[2-(4-methylphenyl)ethyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 3243674
1-{[butyl(ethyl)amino]sulfonyl}-N-(4-fluorobenzyl)piperidine-4-carboxamide
CID 3244656
N-cyclopentyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 3245134
N-(4-fluorobenzyl)-1-(pyrrolidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3448158
1-[(3,5-Dimethylpiperidino)sulfonyl]-N-(4-ethylbenzyl)-4-piperidinecarboxamide
CID 3630366

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(4-methylphenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide (CID 3236510) is N-[2-(4-methylphenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-methylphenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-methylphenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide is Cc1ccc(CCNC(=O)C2CCN(S(=O)(=O)N3CCCC3)CC2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is LXRDHBLLOJHXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-16-4-6-17(7-5-16)8-11-20-19(23)18-9-14-22(15-10-18)26(24,25)21-12-2-3-13-21/h4-7,18H,2-3,8-15H2,1H3,(H,20,23).
What are the key properties of N-[2-(4-methylphenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
N-[2-(4-methylphenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 379.53 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3236510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).