1-ethylsulfonyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride

C19H30ClN3O3S — CID 119514618

IUPAC1-ethylsulfonyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
SMILESCCS(=O)(=O)N1CCC(C(=O)NCC2CCCN2)(c2ccccc2)CC1.Cl
InChIInChI=1S/C19H29N3O3S.ClH/c1-2-26(24,25)22-13-10-19(11-14-22,16-7-4-3-5-8-16)18(23)21-15-17-9-6-12-20-17;/h3-5,7-8,17,20H,2,6,9-15H2,1H3,(H,21,23);1H
InChIKeyRSKQOZFQFSZKOI-UHFFFAOYSA-N
MW415.99 g/mol
LogP1.66
Rot. Bonds6

About 1-ethylsulfonyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride

1-ethylsulfonyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119514618) has the molecular formula C19H30ClN3O3S and a molecular weight of 415.99 g/mol. Its IUPAC name is 1-ethylsulfonyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-ethylsulfonyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID119514618
Molecular FormulaC19H30ClN3O3S
Molecular Weight415.99 g/mol
Exact Mass415.17
IUPAC Name1-ethylsulfonyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
SMILESCCS(=O)(=O)N1CCC(C(=O)NCC2CCCN2)(c2ccccc2)CC1.Cl
InChIInChI=1S/C19H29N3O3S.ClH/c1-2-26(24,25)22-13-10-19(11-14-22,16-7-4-3-5-8-16)18(23)21-15-17-9-6-12-20-17;/h3-5,7-8,17,20H,2,6,9-15H2,1H3,(H,21,23);1H
InChIKeyRSKQOZFQFSZKOI-UHFFFAOYSA-N
XLogP1.66
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.99
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethylsulfonyl-4-phenyl-N-(piperidin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119464480
1-benzyl-4-phenyl-N-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-4-carboxamide
CID 91772427
1-ethylsulfonyl-4-phenyl-N-piperidin-4-ylpiperidine-4-carboxamide;hydrochloride
CID 119390296
N-cyclopentyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78816047
N-butyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78815994
1-ethylsulfonyl-N-(2-methylpiperidin-4-yl)-4-phenylpiperidine-4-carboxamide
CID 120600237
1-ethylsulfonyl-4-phenyl-N-prop-2-enylpiperidine-4-carboxamide
CID 78816036
1-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide
CID 119514550
N-(2-amino-2-ethylbutyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 119643803
N-[(2R)-2-(ethylamino)propyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide;hydrochloride
CID 120651988
1-(4-bromophenyl)-N-(pyrrolidin-2-ylmethyl)cyclobutane-1-carboxamide;hydrochloride
CID 119513259
1-ethylsulfonyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-phenylpiperidine-4-carboxamide
CID 78837890

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-ethylsulfonyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride (CID 119514618) is 1-ethylsulfonyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-ethylsulfonyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-ethylsulfonyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride is CCS(=O)(=O)N1CCC(C(=O)NCC2CCCN2)(c2ccccc2)CC1.Cl.
What is the InChIKey of 1-ethylsulfonyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is RSKQOZFQFSZKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S.ClH/c1-2-26(24,25)22-13-10-19(11-14-22,16-7-4-3-5-8-16)18(23)21-15-17-9-6-12-20-17;/h3-5,7-8,17,20H,2,6,9-15H2,1H3,(H,21,23);1H.
What are the key properties of 1-ethylsulfonyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride?
1-ethylsulfonyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 415.99 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119514618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).