(3R)-1-(benzenesulfonyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-3-carboxamide

C24H30N2O4S — CID 100663435

IUPAC(3R)-1-(benzenesulfonyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-3-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCOCC1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C24H30N2O4S/c27-23(25-19-24(13-16-30-17-14-24)21-9-3-1-4-10-21)20-8-7-15-26(18-20)31(28,29)22-11-5-2-6-12-22/h1-6,9-12,20H,7-8,13-19H2,(H,25,27)/t20-/m1/s1
InChIKeyHWRQNDVTSAUEQI-HXUWFJFHSA-N
MW442.58 g/mol
LogP2.95
Rot. Bonds6

About (3R)-1-(benzenesulfonyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-3-carboxamide

(3R)-1-(benzenesulfonyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-3-carboxamide (PubChem CID 100663435) has the molecular formula C24H30N2O4S and a molecular weight of 442.58 g/mol. Its IUPAC name is (3R)-1-(benzenesulfonyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(benzenesulfonyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-3-carboxamide
PubChem CID100663435
Molecular FormulaC24H30N2O4S
Molecular Weight442.58 g/mol
Exact Mass442.19
IUPAC Name(3R)-1-(benzenesulfonyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-3-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCOCC1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C24H30N2O4S/c27-23(25-19-24(13-16-30-17-14-24)21-9-3-1-4-10-21)20-8-7-15-26(18-20)31(28,29)22-11-5-2-6-12-22/h1-6,9-12,20H,7-8,13-19H2,(H,25,27)/t20-/m1/s1
InChIKeyHWRQNDVTSAUEQI-HXUWFJFHSA-N
XLogP2.95
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.58
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-(benzenesulfonyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methylphenyl)sulfonyl-N-[(4-phenyloxan-4-yl)methyl]piperidine-3-carboxamide
CID 133168162
(3S)-1-ethylsulfonyl-N-[(4-phenyloxan-4-yl)methyl]piperidine-3-carboxamide
CID 98004889
1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-N-[(1-phenylcyclopentyl)methyl]piperidine-3-carboxamide
CID 20869012
1-(dimethylsulfamoyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide
CID 56921660
N-[(1-phenylcyclohexyl)methyl]oxane-4-carboxamide
CID 51078296
(3S)-1-(benzenesulfonyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 28562114
cis-(1R,3S)-3-hydroxy-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide
CID 99779324
(3S)-1-(benzenesulfonyl)-N-pentylpiperidine-3-carboxamide
CID 38767342
1-N-phenyl-3-N-[(1-phenylcyclobutyl)methyl]piperidine-1,3-dicarboxamide
CID 24614563
N-[3-(azepan-1-yl)propyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 133167771
(3R)-1-(benzenesulfonyl)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-3-carboxamide
CID 38835309
(3R)-1-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 1081586

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(benzenesulfonyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(benzenesulfonyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-3-carboxamide (CID 100663435) is (3R)-1-(benzenesulfonyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(benzenesulfonyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(benzenesulfonyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-3-carboxamide is O=C(NCC1(c2ccccc2)CCOCC1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of (3R)-1-(benzenesulfonyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-3-carboxamide?
The InChIKey is HWRQNDVTSAUEQI-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H30N2O4S/c27-23(25-19-24(13-16-30-17-14-24)21-9-3-1-4-10-21)20-8-7-15-26(18-20)31(28,29)22-11-5-2-6-12-22/h1-6,9-12,20H,7-8,13-19H2,(H,25,27)/t20-/m1/s1.
What are the key properties of (3R)-1-(benzenesulfonyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-3-carboxamide?
(3R)-1-(benzenesulfonyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-3-carboxamide has a molecular weight of 442.58 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(benzenesulfonyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 100663435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).