N-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-1-methylsulfonylpiperidine-4-carboxamide

C18H28N2O4S — CID 94909046

IUPACN-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESC[C@@](O)(CCc1ccccc1)CNC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C18H28N2O4S/c1-18(22,11-8-15-6-4-3-5-7-15)14-19-17(21)16-9-12-20(13-10-16)25(2,23)24/h3-7,16,22H,8-14H2,1-2H3,(H,19,21)/t18-/m1/s1
InChIKeyJGMOOFGQNHAKPH-GOSISDBHSA-N
MW368.50 g/mol
LogP1.16
Rot. Bonds7

About N-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 94909046) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID94909046
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC NameN-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESC[C@@](O)(CCc1ccccc1)CNC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C18H28N2O4S/c1-18(22,11-8-15-6-4-3-5-7-15)14-19-17(21)16-9-12-20(13-10-16)25(2,23)24/h3-7,16,22H,8-14H2,1-2H3,(H,19,21)/t18-/m1/s1
InChIKeyJGMOOFGQNHAKPH-GOSISDBHSA-N
XLogP1.16
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-1-phenylpropan-2-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 56922786
2,2-dimethyl-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
CID 81367181
2-benzyl-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
CID 119233765
N-(3-benzylsulfanylpropyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 56920016
1-methylsulfonyl-N-(2-phenyl-2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 110357434
N-(2-hydroxy-2-methylpentyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 103712870
N-(2,2-diphenylpropyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 42939129
1-methylsulfonyl-N-[(2S)-2-phenylbutyl]piperidine-4-carboxamide
CID 30016105
N-[(3-chlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 24603278
1-benzyl-N-(2,2-dimethylpropyl)piperidine-4-carboxamide
CID 141383860
N'-cycloheptyl-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
CID 90498657
N-(2-amino-2-ethylbutyl)-1-methylsulfonylpiperidine-4-carboxamide;hydrochloride
CID 119642002

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 94909046) is N-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-1-methylsulfonylpiperidine-4-carboxamide is C[C@@](O)(CCc1ccccc1)CNC(=O)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is JGMOOFGQNHAKPH-GOSISDBHSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-18(22,11-8-15-6-4-3-5-7-15)14-19-17(21)16-9-12-20(13-10-16)25(2,23)24/h3-7,16,22H,8-14H2,1-2H3,(H,19,21)/t18-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 368.50 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 94909046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).