N-(4-piperidin-1-ylsulfonylphenyl)oxane-4-carboxamide

C17H24N2O4S — CID 31962865

IUPACN-(4-piperidin-1-ylsulfonylphenyl)oxane-4-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCOCC1
InChIInChI=1S/C17H24N2O4S/c20-17(14-8-12-23-13-9-14)18-15-4-6-16(7-5-15)24(21,22)19-10-2-1-3-11-19/h4-7,14H,1-3,8-13H2,(H,18,20)
InChIKeySHPVFBPKHQKLIZ-UHFFFAOYSA-N
MW352.46 g/mol
LogP2.23
Rot. Bonds4

About N-(4-piperidin-1-ylsulfonylphenyl)oxane-4-carboxamide

N-(4-piperidin-1-ylsulfonylphenyl)oxane-4-carboxamide (PubChem CID 31962865) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-(4-piperidin-1-ylsulfonylphenyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(4-piperidin-1-ylsulfonylphenyl)oxane-4-carboxamide
PubChem CID31962865
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC NameN-(4-piperidin-1-ylsulfonylphenyl)oxane-4-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCOCC1
InChIInChI=1S/C17H24N2O4S/c20-17(14-8-12-23-13-9-14)18-15-4-6-16(7-5-15)24(21,22)19-10-2-1-3-11-19/h4-7,14H,1-3,8-13H2,(H,18,20)
InChIKeySHPVFBPKHQKLIZ-UHFFFAOYSA-N
XLogP2.23
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
CID 1013273
N-(4-morpholin-4-ylsulfonylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152446
(3R)-1,1-dioxo-N-(4-piperidin-1-ylsulfonylphenyl)thiolane-3-carboxamide
CID 9073816
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 100659269
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224456
N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]cyclopentanecarboxamide
CID 2412835
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 100673660
N-[4-(azepan-1-ylsulfonyl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 46797295
(2R)-N-(4-morpholin-4-ylsulfonylphenyl)oxolane-2-carboxamide
CID 975970
(3R)-1-(4-chlorophenyl)sulfonyl-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100673047
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
trans-(1R,2R)-2-[[4-(azepan-1-ylsulfonyl)phenyl]carbamoyl]cyclohexane-1-carboxylate
CID 6964051

Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylsulfonylphenyl)oxane-4-carboxamide?
The IUPAC name of N-(4-piperidin-1-ylsulfonylphenyl)oxane-4-carboxamide (CID 31962865) is N-(4-piperidin-1-ylsulfonylphenyl)oxane-4-carboxamide.
What is the SMILES notation for N-(4-piperidin-1-ylsulfonylphenyl)oxane-4-carboxamide?
The canonical SMILES for N-(4-piperidin-1-ylsulfonylphenyl)oxane-4-carboxamide is O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCOCC1.
What is the InChIKey of N-(4-piperidin-1-ylsulfonylphenyl)oxane-4-carboxamide?
The InChIKey is SHPVFBPKHQKLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c20-17(14-8-12-23-13-9-14)18-15-4-6-16(7-5-15)24(21,22)19-10-2-1-3-11-19/h4-7,14H,1-3,8-13H2,(H,18,20).
What are the key properties of N-(4-piperidin-1-ylsulfonylphenyl)oxane-4-carboxamide?
N-(4-piperidin-1-ylsulfonylphenyl)oxane-4-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylsulfonylphenyl)oxane-4-carboxamide is sourced from PubChem (CID 31962865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).