1-[(3-piperidin-1-ylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid

C19H26N2O5S — CID 17418883

IUPAC1-[(3-piperidin-1-ylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H26N2O5S/c22-17(20-19(18(23)24)10-3-1-4-11-19)15-8-7-9-16(14-15)27(25,26)21-12-5-2-6-13-21/h7-9,14H,1-6,10-13H2,(H,20,22)(H,23,24)
InChIKeyKPFKYLZQTPQVSL-UHFFFAOYSA-N
MW394.49 g/mol
LogP2.38
Rot. Bonds5

About 1-[(3-piperidin-1-ylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid

1-[(3-piperidin-1-ylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 17418883) has the molecular formula C19H26N2O5S and a molecular weight of 394.49 g/mol. Its IUPAC name is 1-[(3-piperidin-1-ylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-piperidin-1-ylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid
PubChem CID17418883
Molecular FormulaC19H26N2O5S
Molecular Weight394.49 g/mol
Exact Mass394.16
IUPAC Name1-[(3-piperidin-1-ylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H26N2O5S/c22-17(20-19(18(23)24)10-3-1-4-11-19)15-8-7-9-16(14-15)27(25,26)21-12-5-2-6-13-21/h7-9,14H,1-6,10-13H2,(H,20,22)(H,23,24)
InChIKeyKPFKYLZQTPQVSL-UHFFFAOYSA-N
XLogP2.38
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 3242230
ethyl 1-[[3-(4-methylpiperazin-1-yl)sulfonylbenzoyl]amino]cyclohexane-1-carboxylate
CID 55993738
3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 18105575
N-(3-acetylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2711494
2,2-dimethyl-3-[(3-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid
CID 119250284
3-morpholin-4-ylsulfonyl-N-(1-phenylcyclohexyl)benzamide
CID 86948603
[3-(azepan-1-ylsulfonyl)phenyl]-cyclopropylmethanone
CID 39442346
N-benzhydryl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2420116
3-(azepan-1-ylsulfonyl)-N-(3-methylsulfonylphenyl)benzamide
CID 26722877
N'-(4-chlorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide
CID 2567588
N-[(2S)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 92527690
N-[3-(benzenesulfonamido)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 46474292

Frequently Asked Questions

What is the IUPAC name of 1-[(3-piperidin-1-ylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(3-piperidin-1-ylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid (CID 17418883) is 1-[(3-piperidin-1-ylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-piperidin-1-ylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(3-piperidin-1-ylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 1-[(3-piperidin-1-ylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is KPFKYLZQTPQVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5S/c22-17(20-19(18(23)24)10-3-1-4-11-19)15-8-7-9-16(14-15)27(25,26)21-12-5-2-6-13-21/h7-9,14H,1-6,10-13H2,(H,20,22)(H,23,24).
What are the key properties of 1-[(3-piperidin-1-ylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid?
1-[(3-piperidin-1-ylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 394.49 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-piperidin-1-ylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 17418883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).