1-ethylsulfonyl-4-phenyl-N-piperidin-4-ylpiperidine-4-carboxamide;hydrochloride

C19H30ClN3O3S — CID 119390296

IUPAC1-ethylsulfonyl-4-phenyl-N-piperidin-4-ylpiperidine-4-carboxamide;hydrochloride
SMILESCCS(=O)(=O)N1CCC(C(=O)NC2CCNCC2)(c2ccccc2)CC1.Cl
InChIInChI=1S/C19H29N3O3S.ClH/c1-2-26(24,25)22-14-10-19(11-15-22,16-6-4-3-5-7-16)18(23)21-17-8-12-20-13-9-17;/h3-7,17,20H,2,8-15H2,1H3,(H,21,23);1H
InChIKeyDWMVDMPCQIHZTN-UHFFFAOYSA-N
MW415.99 g/mol
LogP1.66
Rot. Bonds5

About 1-ethylsulfonyl-4-phenyl-N-piperidin-4-ylpiperidine-4-carboxamide;hydrochloride

1-ethylsulfonyl-4-phenyl-N-piperidin-4-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 119390296) has the molecular formula C19H30ClN3O3S and a molecular weight of 415.99 g/mol. Its IUPAC name is 1-ethylsulfonyl-4-phenyl-N-piperidin-4-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-ethylsulfonyl-4-phenyl-N-piperidin-4-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID119390296
Molecular FormulaC19H30ClN3O3S
Molecular Weight415.99 g/mol
Exact Mass415.17
IUPAC Name1-ethylsulfonyl-4-phenyl-N-piperidin-4-ylpiperidine-4-carboxamide;hydrochloride
SMILESCCS(=O)(=O)N1CCC(C(=O)NC2CCNCC2)(c2ccccc2)CC1.Cl
InChIInChI=1S/C19H29N3O3S.ClH/c1-2-26(24,25)22-14-10-19(11-15-22,16-6-4-3-5-7-16)18(23)21-17-8-12-20-13-9-17;/h3-7,17,20H,2,8-15H2,1H3,(H,21,23);1H
InChIKeyDWMVDMPCQIHZTN-UHFFFAOYSA-N
XLogP1.66
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

N-cyclopentyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78816047
1-ethylsulfonyl-N-(2-methylpiperidin-4-yl)-4-phenylpiperidine-4-carboxamide
CID 120600237
1-phenyl-N-(1-propylsulfonylpiperidin-4-yl)cyclopropane-1-carboxamide
CID 55962295
1-ethylsulfonyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119514618
1-ethylsulfonyl-4-phenyl-N-[3-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
CID 78844325
1-ethylsulfonyl-4-phenyl-N-(piperidin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119464480
1-ethylsulfonyl-N-methyl-4-phenyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride
CID 119554609
N-[(2R)-2-(ethylamino)propyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide;hydrochloride
CID 120651988
N-butyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78815994
1-ethylsulfonyl-4-phenyl-N-prop-2-enylpiperidine-4-carboxamide
CID 78816036
1-phenyl-N-[(3R)-piperidin-3-yl]cyclopropane-1-carboxamide
CID 104645396
N-(2-amino-2-ethylbutyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 119643803

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-4-phenyl-N-piperidin-4-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-ethylsulfonyl-4-phenyl-N-piperidin-4-ylpiperidine-4-carboxamide;hydrochloride (CID 119390296) is 1-ethylsulfonyl-4-phenyl-N-piperidin-4-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-ethylsulfonyl-4-phenyl-N-piperidin-4-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-ethylsulfonyl-4-phenyl-N-piperidin-4-ylpiperidine-4-carboxamide;hydrochloride is CCS(=O)(=O)N1CCC(C(=O)NC2CCNCC2)(c2ccccc2)CC1.Cl.
What is the InChIKey of 1-ethylsulfonyl-4-phenyl-N-piperidin-4-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is DWMVDMPCQIHZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S.ClH/c1-2-26(24,25)22-14-10-19(11-15-22,16-6-4-3-5-7-16)18(23)21-17-8-12-20-13-9-17;/h3-7,17,20H,2,8-15H2,1H3,(H,21,23);1H.
What are the key properties of 1-ethylsulfonyl-4-phenyl-N-piperidin-4-ylpiperidine-4-carboxamide;hydrochloride?
1-ethylsulfonyl-4-phenyl-N-piperidin-4-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 415.99 g/mol, XLogP of 1.66, 5 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-piperidin-4-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119390296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).