N-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide

C18H26N2O3S — CID 1013273

IUPACN-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCCCC1
InChIInChI=1S/C18H26N2O3S/c21-18(15-7-3-1-4-8-15)19-16-9-11-17(12-10-16)24(22,23)20-13-5-2-6-14-20/h9-12,15H,1-8,13-14H2,(H,19,21)
InChIKeyHOBFRJVODDWEKF-UHFFFAOYSA-N
MW350.48 g/mol
LogP3.38
Rot. Bonds4

About N-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide

N-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide (PubChem CID 1013273) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is N-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
PubChem CID1013273
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC NameN-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCCCC1
InChIInChI=1S/C18H26N2O3S/c21-18(15-7-3-1-4-8-15)19-16-9-11-17(12-10-16)24(22,23)20-13-5-2-6-14-20/h9-12,15H,1-8,13-14H2,(H,19,21)
InChIKeyHOBFRJVODDWEKF-UHFFFAOYSA-N
XLogP3.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-piperidin-1-ylsulfonylphenyl)oxane-4-carboxamide
CID 31962865
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 100659269
(3R)-1-(4-chlorophenyl)sulfonyl-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100673047
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 100673660
trans-(1R,2R)-2-[[4-(azepan-1-ylsulfonyl)phenyl]carbamoyl]cyclohexane-1-carboxylate
CID 6964051
(3R)-1-(4-methylphenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100664460
(3R)-1-(4-chlorophenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100673677
(3R)-1,1-dioxo-N-(4-piperidin-1-ylsulfonylphenyl)thiolane-3-carboxamide
CID 9073816
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224456
N-[4-(azepan-1-ylsulfonyl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 46797295
N-(4-piperidin-1-ylsulfonylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 55811063
N-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 16862472

Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide?
The IUPAC name of N-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide (CID 1013273) is N-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide?
The canonical SMILES for N-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide is O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCCCC1.
What is the InChIKey of N-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide?
The InChIKey is HOBFRJVODDWEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c21-18(15-7-3-1-4-8-15)19-16-9-11-17(12-10-16)24(22,23)20-13-5-2-6-14-20/h9-12,15H,1-8,13-14H2,(H,19,21).
What are the key properties of N-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide?
N-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide has a molecular weight of 350.48 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide is sourced from PubChem (CID 1013273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).