1-acetyl-N-(3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide

C19H27N3O4S — CID 31297742

IUPAC1-acetyl-N-(3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1
InChIInChI=1S/C19H27N3O4S/c1-15(23)21-12-8-16(9-13-21)19(24)20-17-6-5-7-18(14-17)27(25,26)22-10-3-2-4-11-22/h5-7,14,16H,2-4,8-13H2,1H3,(H,20,24)
InChIKeyXROQHJZYWIGRNM-UHFFFAOYSA-N
MW393.51 g/mol
LogP2.06
Rot. Bonds4

About 1-acetyl-N-(3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide

1-acetyl-N-(3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide (PubChem CID 31297742) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is 1-acetyl-N-(3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
PubChem CID31297742
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC Name1-acetyl-N-(3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1
InChIInChI=1S/C19H27N3O4S/c1-15(23)21-12-8-16(9-13-21)19(24)20-17-6-5-7-18(14-17)27(25,26)22-10-3-2-4-11-22/h5-7,14,16H,2-4,8-13H2,1H3,(H,20,24)
InChIKeyXROQHJZYWIGRNM-UHFFFAOYSA-N
XLogP2.06
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120672164
1-acetyl-N-(3-methylsulfonylphenyl)piperidine-4-carboxamide
CID 33156130
(3R)-3-N-(3-pyrrolidin-1-ylsulfonylphenyl)piperidine-1,3-dicarboxamide
CID 9073712
1-acetyl-N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 9460845
(3S)-1-acetyl-N-[3-(dimethylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 9208005
1-(benzenesulfonyl)-N-[3-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide
CID 39131296
N-[3-(azepan-1-ylsulfonyl)phenyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 55374582
2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 60651214
1-cyclohexyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)urea
CID 110314101
1-(3-acetylphenyl)sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 8714129
1-(2-methylpropanoyl)-N-(3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 55883513
1-(3,4-dimethylphenyl)sulfonyl-N-[3-(dimethylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 24687063

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide (CID 31297742) is 1-acetyl-N-(3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1.
What is the InChIKey of 1-acetyl-N-(3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide?
The InChIKey is XROQHJZYWIGRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-15(23)21-12-8-16(9-13-21)19(24)20-17-6-5-7-18(14-17)27(25,26)22-10-3-2-4-11-22/h5-7,14,16H,2-4,8-13H2,1H3,(H,20,24).
What are the key properties of 1-acetyl-N-(3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide?
1-acetyl-N-(3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide has a molecular weight of 393.51 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 31297742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).