1-ethylsulfonyl-4-phenyl-N-(piperidin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride

C20H32ClN3O3S — CID 119464480

IUPAC1-ethylsulfonyl-4-phenyl-N-(piperidin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride
SMILESCCS(=O)(=O)N1CCC(C(=O)NCC2CCCNC2)(c2ccccc2)CC1.Cl
InChIInChI=1S/C20H31N3O3S.ClH/c1-2-27(25,26)23-13-10-20(11-14-23,18-8-4-3-5-9-18)19(24)22-16-17-7-6-12-21-15-17;/h3-5,8-9,17,21H,2,6-7,10-16H2,1H3,(H,22,24);1H
InChIKeyAMGKATGFBQMKPN-UHFFFAOYSA-N
MW430.01 g/mol
LogP1.91
Rot. Bonds6

About 1-ethylsulfonyl-4-phenyl-N-(piperidin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride

1-ethylsulfonyl-4-phenyl-N-(piperidin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119464480) has the molecular formula C20H32ClN3O3S and a molecular weight of 430.01 g/mol. Its IUPAC name is 1-ethylsulfonyl-4-phenyl-N-(piperidin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-ethylsulfonyl-4-phenyl-N-(piperidin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID119464480
Molecular FormulaC20H32ClN3O3S
Molecular Weight430.01 g/mol
Exact Mass429.19
IUPAC Name1-ethylsulfonyl-4-phenyl-N-(piperidin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride
SMILESCCS(=O)(=O)N1CCC(C(=O)NCC2CCCNC2)(c2ccccc2)CC1.Cl
InChIInChI=1S/C20H31N3O3S.ClH/c1-2-27(25,26)23-13-10-20(11-14-23,18-8-4-3-5-9-18)19(24)22-16-17-7-6-12-21-15-17;/h3-5,8-9,17,21H,2,6-7,10-16H2,1H3,(H,22,24);1H
InChIKeyAMGKATGFBQMKPN-UHFFFAOYSA-N
XLogP1.91
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.01
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethylsulfonyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119514618
N-cyclopentyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78816047
1-benzoyl-2-methyl-N-(piperidin-3-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119463342
N-butyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78815994
N-[(2R)-2-(ethylamino)propyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide;hydrochloride
CID 120651988
1-ethylsulfonyl-N-methyl-4-phenyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride
CID 119554609
N-(2-amino-2-ethylbutyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 119643803
1-ethylsulfonyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-phenylpiperidine-4-carboxamide
CID 78837890
1-ethylsulfonyl-N-(2-methylpiperidin-4-yl)-4-phenylpiperidine-4-carboxamide
CID 120600237
N-(3-cyclohexyloxypropyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78840882
N-(cyclopropylmethyl)-1-phenylcyclobutane-1-carboxamide
CID 34832176
1-ethylsulfonyl-4-phenyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 78902535

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-4-phenyl-N-(piperidin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-ethylsulfonyl-4-phenyl-N-(piperidin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride (CID 119464480) is 1-ethylsulfonyl-4-phenyl-N-(piperidin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-ethylsulfonyl-4-phenyl-N-(piperidin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-ethylsulfonyl-4-phenyl-N-(piperidin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride is CCS(=O)(=O)N1CCC(C(=O)NCC2CCCNC2)(c2ccccc2)CC1.Cl.
What is the InChIKey of 1-ethylsulfonyl-4-phenyl-N-(piperidin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is AMGKATGFBQMKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S.ClH/c1-2-27(25,26)23-13-10-20(11-14-23,18-8-4-3-5-9-18)19(24)22-16-17-7-6-12-21-15-17;/h3-5,8-9,17,21H,2,6-7,10-16H2,1H3,(H,22,24);1H.
What are the key properties of 1-ethylsulfonyl-4-phenyl-N-(piperidin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride?
1-ethylsulfonyl-4-phenyl-N-(piperidin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 430.01 g/mol, XLogP of 1.91, 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-(piperidin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119464480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).