1-ethylsulfonyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-4-carboxamide

C20H32N4O3S — CID 56517124

IUPAC1-ethylsulfonyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCc2ccccc2N2CCN(C)CC2)CC1
InChIInChI=1S/C20H32N4O3S/c1-3-28(26,27)24-10-8-17(9-11-24)20(25)21-16-18-6-4-5-7-19(18)23-14-12-22(2)13-15-23/h4-7,17H,3,8-16H2,1-2H3,(H,21,25)
InChIKeyXGAQRXKZYYAKBH-UHFFFAOYSA-N
MW408.57 g/mol
LogP1.12
Rot. Bonds6

About 1-ethylsulfonyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-4-carboxamide

1-ethylsulfonyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 56517124) has the molecular formula C20H32N4O3S and a molecular weight of 408.57 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID56517124
Molecular FormulaC20H32N4O3S
Molecular Weight408.57 g/mol
Exact Mass408.22
IUPAC Name1-ethylsulfonyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCc2ccccc2N2CCN(C)CC2)CC1
InChIInChI=1S/C20H32N4O3S/c1-3-28(26,27)24-10-8-17(9-11-24)20(25)21-16-18-6-4-5-7-19(18)23-14-12-22(2)13-15-23/h4-7,17H,3,8-16H2,1-2H3,(H,21,25)
InChIKeyXGAQRXKZYYAKBH-UHFFFAOYSA-N
XLogP1.12
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethylsulfonyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-4-carboxamide
CID 55715200
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 56518180
1-(4-fluorophenyl)sulfonyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110246566
1-(4-fluorobenzoyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 56517800
1-ethylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 35614544
1-ethylsulfonyl-N-(3-phenothiazin-10-ylpropyl)piperidine-4-carboxamide
CID 55679725
1-[(2-chlorophenyl)methylsulfonyl]-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]piperidine-4-carboxamide
CID 28631876
1-[(2-chlorophenyl)methylsulfonyl]-N-[3-(4-methylpiperazin-1-yl)propyl]piperidine-4-carboxamide
CID 28574520
1-(3,5-difluorophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 56517678
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2,2-diphenylacetamide
CID 56518010
1-methylsulfonyl-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 95945588
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]octanamide
CID 56517889

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-4-carboxamide (CID 56517124) is 1-ethylsulfonyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)NCc2ccccc2N2CCN(C)CC2)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is XGAQRXKZYYAKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3S/c1-3-28(26,27)24-10-8-17(9-11-24)20(25)21-16-18-6-4-5-7-19(18)23-14-12-22(2)13-15-23/h4-7,17H,3,8-16H2,1-2H3,(H,21,25).
What are the key properties of 1-ethylsulfonyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-4-carboxamide?
1-ethylsulfonyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 408.57 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 56517124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).