1-(3-acetylphenyl)sulfonyl-N-(1-ethylpiperidin-4-yl)piperidine-4-carboxamide

C21H31N3O4S — CID 9091183

IUPAC1-(3-acetylphenyl)sulfonyl-N-(1-ethylpiperidin-4-yl)piperidine-4-carboxamide
SMILESCCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)CC1
InChIInChI=1S/C21H31N3O4S/c1-3-23-11-9-19(10-12-23)22-21(26)17-7-13-24(14-8-17)29(27,28)20-6-4-5-18(15-20)16(2)25/h4-6,15,17,19H,3,7-14H2,1-2H3,(H,22,26)
InChIKeySIJJGBPAPOXRET-UHFFFAOYSA-N
MW421.56 g/mol
LogP1.89
Rot. Bonds6

About 1-(3-acetylphenyl)sulfonyl-N-(1-ethylpiperidin-4-yl)piperidine-4-carboxamide

1-(3-acetylphenyl)sulfonyl-N-(1-ethylpiperidin-4-yl)piperidine-4-carboxamide (PubChem CID 9091183) has the molecular formula C21H31N3O4S and a molecular weight of 421.56 g/mol. Its IUPAC name is 1-(3-acetylphenyl)sulfonyl-N-(1-ethylpiperidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-acetylphenyl)sulfonyl-N-(1-ethylpiperidin-4-yl)piperidine-4-carboxamide
PubChem CID9091183
Molecular FormulaC21H31N3O4S
Molecular Weight421.56 g/mol
Exact Mass421.20
IUPAC Name1-(3-acetylphenyl)sulfonyl-N-(1-ethylpiperidin-4-yl)piperidine-4-carboxamide
SMILESCCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)CC1
InChIInChI=1S/C21H31N3O4S/c1-3-23-11-9-19(10-12-23)22-21(26)17-7-13-24(14-8-17)29(27,28)20-6-4-5-18(15-20)16(2)25/h4-6,15,17,19H,3,7-14H2,1-2H3,(H,22,26)
InChIKeySIJJGBPAPOXRET-UHFFFAOYSA-N
XLogP1.89
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.56
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-acetylphenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide
CID 9404010
1-(3-acetylphenyl)sulfonyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]piperidine-4-carboxamide
CID 9087756
1-(3-acetylphenyl)sulfonyl-N-benzhydrylpiperidine-4-carboxamide
CID 26735300
1-(3-acetylphenyl)sulfonyl-N-[3-(hydroxymethyl)phenyl]piperidine-4-carboxamide
CID 9299938
N-(1-propylpiperidin-4-yl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 55543864
1-(3-acetylphenyl)sulfonyl-N-(3-chloro-2-methylphenyl)piperidine-4-carboxamide
CID 26115202
methyl 1-[[1-(3-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]cyclopentane-1-carboxylate
CID 55561235
1-(3-acetylphenyl)sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 8714129
1-(3-acetylphenyl)sulfonyl-N-[2-(3-chlorophenyl)ethyl]piperidine-4-carboxamide
CID 39730733
1-(3-acetylphenyl)sulfonyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 24573053
1-(3-acetylphenyl)sulfonyl-N-[(R)-(4-methylphenyl)-phenylmethyl]piperidine-4-carboxamide
CID 40897728
1-(3-acetylphenyl)sulfonyl-N-[(1R)-1-(furan-2-yl)ethyl]piperidine-4-carboxamide
CID 9482139

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)sulfonyl-N-(1-ethylpiperidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-acetylphenyl)sulfonyl-N-(1-ethylpiperidin-4-yl)piperidine-4-carboxamide (CID 9091183) is 1-(3-acetylphenyl)sulfonyl-N-(1-ethylpiperidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-acetylphenyl)sulfonyl-N-(1-ethylpiperidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-acetylphenyl)sulfonyl-N-(1-ethylpiperidin-4-yl)piperidine-4-carboxamide is CCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)CC1.
What is the InChIKey of 1-(3-acetylphenyl)sulfonyl-N-(1-ethylpiperidin-4-yl)piperidine-4-carboxamide?
The InChIKey is SIJJGBPAPOXRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O4S/c1-3-23-11-9-19(10-12-23)22-21(26)17-7-13-24(14-8-17)29(27,28)20-6-4-5-18(15-20)16(2)25/h4-6,15,17,19H,3,7-14H2,1-2H3,(H,22,26).
What are the key properties of 1-(3-acetylphenyl)sulfonyl-N-(1-ethylpiperidin-4-yl)piperidine-4-carboxamide?
1-(3-acetylphenyl)sulfonyl-N-(1-ethylpiperidin-4-yl)piperidine-4-carboxamide has a molecular weight of 421.56 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)sulfonyl-N-(1-ethylpiperidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 9091183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).