1-ethylsulfonyl-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide

C16H31N3O3S — CID 3294768

IUPAC1-ethylsulfonyl-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCCN2CCCCC2C)CC1
InChIInChI=1S/C16H31N3O3S/c1-3-23(21,22)19-11-7-15(8-12-19)16(20)17-9-13-18-10-5-4-6-14(18)2/h14-15H,3-13H2,1-2H3,(H,17,20)
InChIKeyHBHSCOKLORZUMF-UHFFFAOYSA-N
MW345.51 g/mol
LogP1.04
Rot. Bonds6

About 1-ethylsulfonyl-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide

1-ethylsulfonyl-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide (PubChem CID 3294768) has the molecular formula C16H31N3O3S and a molecular weight of 345.51 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
PubChem CID3294768
Molecular FormulaC16H31N3O3S
Molecular Weight345.51 g/mol
Exact Mass345.21
IUPAC Name1-ethylsulfonyl-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCCN2CCCCC2C)CC1
InChIInChI=1S/C16H31N3O3S/c1-3-23(21,22)19-11-7-15(8-12-19)16(20)17-9-13-18-10-5-4-6-14(18)2/h14-15H,3-13H2,1-2H3,(H,17,20)
InChIKeyHBHSCOKLORZUMF-UHFFFAOYSA-N
XLogP1.04
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 3687178
N-[3-(2-methylpiperidin-1-yl)propyl]cyclopropanecarboxamide
CID 60668524
N-[2-(2-methylpiperidin-1-yl)ethyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide
CID 55723617
N-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 6941835
N-[2-(2-methylpiperidin-1-yl)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
CID 5309306
1-ethylsulfonyl-N-heptylpiperidine-4-carboxamide
CID 174300935
2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]ethyl-dimethylazanium
CID 3636219
N-[2-(azepan-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide
CID 4135815
(2R)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]oxolane-2-carboxamide
CID 124815610
5-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]pentanoic acid
CID 62032483
N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119850930
N-[3-(4-methylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-4-carboxamide
CID 4531205

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide (CID 3294768) is 1-ethylsulfonyl-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)NCCN2CCCCC2C)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is HBHSCOKLORZUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O3S/c1-3-23(21,22)19-11-7-15(8-12-19)16(20)17-9-13-18-10-5-4-6-14(18)2/h14-15H,3-13H2,1-2H3,(H,17,20).
What are the key properties of 1-ethylsulfonyl-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide?
1-ethylsulfonyl-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 345.51 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 3294768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).