1-ethylsulfonyl-N-methyl-4-phenyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride

C19H30ClN3O3S — CID 119554609

IUPAC1-ethylsulfonyl-N-methyl-4-phenyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride
SMILESCCS(=O)(=O)N1CCC(C(=O)N(C)C2CCNC2)(c2ccccc2)CC1.Cl
InChIInChI=1S/C19H29N3O3S.ClH/c1-3-26(24,25)22-13-10-19(11-14-22,16-7-5-4-6-8-16)18(23)21(2)17-9-12-20-15-17;/h4-8,17,20H,3,9-15H2,1-2H3;1H
InChIKeyZSSSKLTZXBNLHB-UHFFFAOYSA-N
MW415.99 g/mol
LogP1.61
Rot. Bonds5

About 1-ethylsulfonyl-N-methyl-4-phenyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride

1-ethylsulfonyl-N-methyl-4-phenyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 119554609) has the molecular formula C19H30ClN3O3S and a molecular weight of 415.99 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-methyl-4-phenyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-ethylsulfonyl-N-methyl-4-phenyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID119554609
Molecular FormulaC19H30ClN3O3S
Molecular Weight415.99 g/mol
Exact Mass415.17
IUPAC Name1-ethylsulfonyl-N-methyl-4-phenyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride
SMILESCCS(=O)(=O)N1CCC(C(=O)N(C)C2CCNC2)(c2ccccc2)CC1.Cl
InChIInChI=1S/C19H29N3O3S.ClH/c1-3-26(24,25)22-13-10-19(11-14-22,16-7-5-4-6-8-16)18(23)21(2)17-9-12-20-15-17;/h4-8,17,20H,3,9-15H2,1-2H3;1H
InChIKeyZSSSKLTZXBNLHB-UHFFFAOYSA-N
XLogP1.61
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.99
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethylsulfonyl-4-phenyl-N-piperidin-4-ylpiperidine-4-carboxamide;hydrochloride
CID 119390296
1-ethylsulfonyl-4-phenyl-N-(piperidin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119464480
3-[(1-ethylsulfonyl-4-phenylpiperidine-4-carbonyl)-methylamino]propanoic acid
CID 119362379
1-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride
CID 119553957
1-(4-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide
CID 119550638
1-ethylsulfonyl-N-methyl-N-[(4-methylphenyl)methyl]-4-phenylpiperidine-4-carboxamide
CID 78816373
1-(3-bromophenyl)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide
CID 119551309
1-ethylsulfonyl-N-[(2-fluorophenyl)methyl]-N-methyl-4-phenylpiperidine-4-carboxamide
CID 78816390
1-benzyl-N-methyl-N-pyrrolidin-3-ylcyclobutane-1-carboxamide;hydrochloride
CID 119554243
1-ethylsulfonyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119514618
N-[(2,4-difluorophenyl)methyl]-1-ethylsulfonyl-N-methyl-4-phenylpiperidine-4-carboxamide
CID 78844988
N-cyclopentyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78816047

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-methyl-4-phenyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-ethylsulfonyl-N-methyl-4-phenyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride (CID 119554609) is 1-ethylsulfonyl-N-methyl-4-phenyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-ethylsulfonyl-N-methyl-4-phenyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-ethylsulfonyl-N-methyl-4-phenyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride is CCS(=O)(=O)N1CCC(C(=O)N(C)C2CCNC2)(c2ccccc2)CC1.Cl.
What is the InChIKey of 1-ethylsulfonyl-N-methyl-4-phenyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is ZSSSKLTZXBNLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S.ClH/c1-3-26(24,25)22-13-10-19(11-14-22,16-7-5-4-6-8-16)18(23)21(2)17-9-12-20-15-17;/h4-8,17,20H,3,9-15H2,1-2H3;1H.
What are the key properties of 1-ethylsulfonyl-N-methyl-4-phenyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride?
1-ethylsulfonyl-N-methyl-4-phenyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 415.99 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-methyl-4-phenyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119554609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).