4-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid

C19H26N2O5S — CID 120672164

IUPAC4-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1
InChIInChI=1S/C19H26N2O5S/c22-18(14-7-9-15(10-8-14)19(23)24)20-16-5-4-6-17(13-16)27(25,26)21-11-2-1-3-12-21/h4-6,13-15H,1-3,7-12H2,(H,20,22)(H,23,24)
InChIKeyLVWVZXFTZHOHIE-UHFFFAOYSA-N
MW394.49 g/mol
LogP2.69
Rot. Bonds5

About 4-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid

4-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120672164) has the molecular formula C19H26N2O5S and a molecular weight of 394.49 g/mol. Its IUPAC name is 4-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120672164
Molecular FormulaC19H26N2O5S
Molecular Weight394.49 g/mol
Exact Mass394.16
IUPAC Name4-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1
InChIInChI=1S/C19H26N2O5S/c22-18(14-7-9-15(10-8-14)19(23)24)20-16-5-4-6-17(13-16)27(25,26)21-11-2-1-3-12-21/h4-6,13-15H,1-3,7-12H2,(H,20,22)(H,23,24)
InChIKeyLVWVZXFTZHOHIE-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-(3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 31297742
(3R)-3-N-(3-pyrrolidin-1-ylsulfonylphenyl)piperidine-1,3-dicarboxamide
CID 9073712
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
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide
CID 4785250
(3R)-N-[3-(azepan-1-ylsulfonyl)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37025382
3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopentane-1-carboxamide
CID 119864403
1-(benzenesulfonyl)-N-(3-chloro-4-piperidin-1-ylphenyl)piperidine-4-carboxamide
CID 55885014
1-(2-methylpropanoyl)-N-(3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 55883513
1-(4-fluorophenyl)sulfonyl-N-(3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 43019338
(3S)-N-(3-acetamidophenyl)-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 38764457

Frequently Asked Questions

What is the IUPAC name of 4-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 120672164) is 4-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1.
What is the InChIKey of 4-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is LVWVZXFTZHOHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5S/c22-18(14-7-9-15(10-8-14)19(23)24)20-16-5-4-6-17(13-16)27(25,26)21-11-2-1-3-12-21/h4-6,13-15H,1-3,7-12H2,(H,20,22)(H,23,24).
What are the key properties of 4-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
4-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 394.49 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120672164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).