N-(2-methyl-1-phenylpropan-2-yl)-1-methylsulfonylpiperidine-4-carboxamide

C17H26N2O3S — CID 56922786

IUPACN-(2-methyl-1-phenylpropan-2-yl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCC(C)(Cc1ccccc1)NC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C17H26N2O3S/c1-17(2,13-14-7-5-4-6-8-14)18-16(20)15-9-11-19(12-10-15)23(3,21)22/h4-8,15H,9-13H2,1-3H3,(H,18,20)
InChIKeySBYPQGUPZPYSCK-UHFFFAOYSA-N
MW338.47 g/mol
LogP1.80
Rot. Bonds5

About N-(2-methyl-1-phenylpropan-2-yl)-1-methylsulfonylpiperidine-4-carboxamide

N-(2-methyl-1-phenylpropan-2-yl)-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 56922786) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-(2-methyl-1-phenylpropan-2-yl)-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1-phenylpropan-2-yl)-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID56922786
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-(2-methyl-1-phenylpropan-2-yl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCC(C)(Cc1ccccc1)NC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C17H26N2O3S/c1-17(2,13-14-7-5-4-6-8-14)18-16(20)15-9-11-19(12-10-15)23(3,21)22/h4-8,15H,9-13H2,1-3H3,(H,18,20)
InChIKeySBYPQGUPZPYSCK-UHFFFAOYSA-N
XLogP1.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.80
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
(3R)-1-ethylsulfonyl-N-(2-methyl-1-phenylpropan-2-yl)piperidine-3-carboxamide
CID 95875273
N-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 94909046
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methyl-1-phenylpropan-2-yl)piperidine-4-carboxamide
CID 100752301
2-benzyl-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
CID 119233765
N-(3-benzylsulfanylpropyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 56920016
1-methylsulfonyl-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 1082619
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 18141586
1-benzylsulfonyl-N-[2-(4-chlorophenyl)propan-2-yl]piperidine-4-carboxamide
CID 86883702
N-(2-bromophenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 2192347
N-benzyl-1-methylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 110700192
N-[(3-chlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 24603278

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-phenylpropan-2-yl)-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-methyl-1-phenylpropan-2-yl)-1-methylsulfonylpiperidine-4-carboxamide (CID 56922786) is N-(2-methyl-1-phenylpropan-2-yl)-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-methyl-1-phenylpropan-2-yl)-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-methyl-1-phenylpropan-2-yl)-1-methylsulfonylpiperidine-4-carboxamide is CC(C)(Cc1ccccc1)NC(=O)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-(2-methyl-1-phenylpropan-2-yl)-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is SBYPQGUPZPYSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-17(2,13-14-7-5-4-6-8-14)18-16(20)15-9-11-19(12-10-15)23(3,21)22/h4-8,15H,9-13H2,1-3H3,(H,18,20).
What are the key properties of N-(2-methyl-1-phenylpropan-2-yl)-1-methylsulfonylpiperidine-4-carboxamide?
N-(2-methyl-1-phenylpropan-2-yl)-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 338.47 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-phenylpropan-2-yl)-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 56922786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).