N-(2,2-diphenylpropyl)-1-methylsulfonylpiperidine-3-carboxamide

C22H28N2O3S — CID 42939129

IUPACN-(2,2-diphenylpropyl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCC(CNC(=O)C1CCCN(S(C)(=O)=O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28N2O3S/c1-22(19-11-5-3-6-12-19,20-13-7-4-8-14-20)17-23-21(25)18-10-9-15-24(16-18)28(2,26)27/h3-8,11-14,18H,9-10,15-17H2,1-2H3,(H,23,25)
InChIKeyOOGVRTMAAHPVRK-UHFFFAOYSA-N
MW400.54 g/mol
LogP2.78
Rot. Bonds6

About N-(2,2-diphenylpropyl)-1-methylsulfonylpiperidine-3-carboxamide

N-(2,2-diphenylpropyl)-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 42939129) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is N-(2,2-diphenylpropyl)-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-diphenylpropyl)-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID42939129
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC NameN-(2,2-diphenylpropyl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCC(CNC(=O)C1CCCN(S(C)(=O)=O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28N2O3S/c1-22(19-11-5-3-6-12-19,20-13-7-4-8-14-20)17-23-21(25)18-10-9-15-24(16-18)28(2,26)27/h3-8,11-14,18H,9-10,15-17H2,1-2H3,(H,23,25)
InChIKeyOOGVRTMAAHPVRK-UHFFFAOYSA-N
XLogP2.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(2-methyl-1-phenylpropan-2-yl)-1-methylsulfonylpiperidine-3-carboxamide
CID 95875444
N-(2,2-difluoro-3-hydroxypropyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 104858019
(3S)-1-methylsulfonyl-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide
CID 7319798
N-(2-hydroxy-2-methylpentyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 103712870
N-(2-benzylbutyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 50947150
2-methyl-3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoic acid
CID 55105113
N-[(4-methylphenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 3242642
N-(3-methylbutyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 3261210
N-[(2R)-2-hydroxypropyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 83031962
(3S)-1-methylsulfonyl-N-[(2S)-1-phenoxypropan-2-yl]piperidine-3-carboxamide
CID 94625034
(3S)-N-[(2R)-2-hydroxy-2-phenylpropyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 95769503
(3R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 95118463

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylpropyl)-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(2,2-diphenylpropyl)-1-methylsulfonylpiperidine-3-carboxamide (CID 42939129) is N-(2,2-diphenylpropyl)-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2,2-diphenylpropyl)-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(2,2-diphenylpropyl)-1-methylsulfonylpiperidine-3-carboxamide is CC(CNC(=O)C1CCCN(S(C)(=O)=O)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2,2-diphenylpropyl)-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is OOGVRTMAAHPVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-22(19-11-5-3-6-12-19,20-13-7-4-8-14-20)17-23-21(25)18-10-9-15-24(16-18)28(2,26)27/h3-8,11-14,18H,9-10,15-17H2,1-2H3,(H,23,25).
What are the key properties of N-(2,2-diphenylpropyl)-1-methylsulfonylpiperidine-3-carboxamide?
N-(2,2-diphenylpropyl)-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 400.54 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylpropyl)-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 42939129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).