N-[(2R)-2-benzylbutyl]-1-ethylsulfonylpiperidine-4-carboxamide

C19H30N2O3S — CID 95554605

IUPACN-[(2R)-2-benzylbutyl]-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCC[C@@H](CNC(=O)C1CCN(S(=O)(=O)CC)CC1)Cc1ccccc1
InChIInChI=1S/C19H30N2O3S/c1-3-16(14-17-8-6-5-7-9-17)15-20-19(22)18-10-12-21(13-11-18)25(23,24)4-2/h5-9,16,18H,3-4,10-15H2,1-2H3,(H,20,22)/t16-/m1/s1
InChIKeyRUYDYQSWCNARPZ-MRXNPFEDSA-N
MW366.53 g/mol
LogP2.43
Rot. Bonds8

About N-[(2R)-2-benzylbutyl]-1-ethylsulfonylpiperidine-4-carboxamide

N-[(2R)-2-benzylbutyl]-1-ethylsulfonylpiperidine-4-carboxamide (PubChem CID 95554605) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is N-[(2R)-2-benzylbutyl]-1-ethylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-benzylbutyl]-1-ethylsulfonylpiperidine-4-carboxamide
PubChem CID95554605
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC NameN-[(2R)-2-benzylbutyl]-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCC[C@@H](CNC(=O)C1CCN(S(=O)(=O)CC)CC1)Cc1ccccc1
InChIInChI=1S/C19H30N2O3S/c1-3-16(14-17-8-6-5-7-9-17)15-20-19(22)18-10-12-21(13-11-18)25(23,24)4-2/h5-9,16,18H,3-4,10-15H2,1-2H3,(H,20,22)/t16-/m1/s1
InChIKeyRUYDYQSWCNARPZ-MRXNPFEDSA-N
XLogP2.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzylbutyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 50947150
2-benzyl-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
CID 119233765
1-methylsulfonyl-N-[(2S)-2-phenylbutyl]piperidine-4-carboxamide
CID 30016105
N-(2-benzylbutyl)-1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43927953
1-benzylsulfonyl-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide
CID 92676349
1-ethylsulfonyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-4-carboxamide
CID 55715200
N-(2-ethylhexyl)-1-phenylpiperidine-4-carboxamide
CID 17152439
N-(2-benzylbutyl)piperazine-1-carboxamide
CID 131936268
1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(2-ethylhexyl)piperidine-4-carboxamide
CID 133239597
2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-2-phenylbutanoic acid
CID 119201732
1-ethylsulfonyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 39690338
methyl 3-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-2-hydroxypropanoate
CID 103879591

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-benzylbutyl]-1-ethylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(2R)-2-benzylbutyl]-1-ethylsulfonylpiperidine-4-carboxamide (CID 95554605) is N-[(2R)-2-benzylbutyl]-1-ethylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-benzylbutyl]-1-ethylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2R)-2-benzylbutyl]-1-ethylsulfonylpiperidine-4-carboxamide is CC[C@@H](CNC(=O)C1CCN(S(=O)(=O)CC)CC1)Cc1ccccc1.
What is the InChIKey of N-[(2R)-2-benzylbutyl]-1-ethylsulfonylpiperidine-4-carboxamide?
The InChIKey is RUYDYQSWCNARPZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-3-16(14-17-8-6-5-7-9-17)15-20-19(22)18-10-12-21(13-11-18)25(23,24)4-2/h5-9,16,18H,3-4,10-15H2,1-2H3,(H,20,22)/t16-/m1/s1.
What are the key properties of N-[(2R)-2-benzylbutyl]-1-ethylsulfonylpiperidine-4-carboxamide?
N-[(2R)-2-benzylbutyl]-1-ethylsulfonylpiperidine-4-carboxamide has a molecular weight of 366.53 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-benzylbutyl]-1-ethylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 95554605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).