4-benzyl-N-[[1-[(S)-methylsulfinyl]cyclobutyl]methyl]piperidine-1-carboxamide

C19H28N2O2S — CID 125140570

IUPAC4-benzyl-N-[[1-[(S)-methylsulfinyl]cyclobutyl]methyl]piperidine-1-carboxamide
SMILESC[S@](=O)C1(CNC(=O)N2CCC(Cc3ccccc3)CC2)CCC1
InChIInChI=1S/C19H28N2O2S/c1-24(23)19(10-5-11-19)15-20-18(22)21-12-8-17(9-13-21)14-16-6-3-2-4-7-16/h2-4,6-7,17H,5,8-15H2,1H3,(H,20,22)/t24-/m0/s1
InChIKeyZTEVWEGLABZWOY-DEOSSOPVSA-N
MW348.51 g/mol
LogP2.95
Rot. Bonds5

About 4-benzyl-N-[[1-[(S)-methylsulfinyl]cyclobutyl]methyl]piperidine-1-carboxamide

4-benzyl-N-[[1-[(S)-methylsulfinyl]cyclobutyl]methyl]piperidine-1-carboxamide (PubChem CID 125140570) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is 4-benzyl-N-[[1-[(S)-methylsulfinyl]cyclobutyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-[[1-[(S)-methylsulfinyl]cyclobutyl]methyl]piperidine-1-carboxamide
PubChem CID125140570
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC Name4-benzyl-N-[[1-[(S)-methylsulfinyl]cyclobutyl]methyl]piperidine-1-carboxamide
SMILESC[S@](=O)C1(CNC(=O)N2CCC(Cc3ccccc3)CC2)CCC1
InChIInChI=1S/C19H28N2O2S/c1-24(23)19(10-5-11-19)15-20-18(22)21-12-8-17(9-13-21)14-16-6-3-2-4-7-16/h2-4,6-7,17H,5,8-15H2,1H3,(H,20,22)/t24-/m0/s1
InChIKeyZTEVWEGLABZWOY-DEOSSOPVSA-N
XLogP2.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-anilino-N-[[1-[(S)-methylsulfinyl]cyclobutyl]methyl]piperidine-1-carboxamide
CID 125140514
4-benzyl-N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidine-1-carboxamide
CID 113214035
4-benzyl-N-[(4-carbamoyloxan-4-yl)methyl]piperidine-1-carboxamide
CID 136577461
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
[1-(4-benzylpiperidine-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone
CID 108971633
4-benzyl-N-(cyclopentylidenemethyl)piperidine-1-carboxamide
CID 108913486
1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone
CID 127122886
N-[(1-benzylcyclopentyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110013386
[1-(4-benzylpiperidine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone
CID 108972015
1-amino-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide
CID 119320484
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
4-benzyl-N-(2-tert-butylphenyl)piperidine-1-carboxamide
CID 3455496

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[[1-[(S)-methylsulfinyl]cyclobutyl]methyl]piperidine-1-carboxamide?
The IUPAC name of 4-benzyl-N-[[1-[(S)-methylsulfinyl]cyclobutyl]methyl]piperidine-1-carboxamide (CID 125140570) is 4-benzyl-N-[[1-[(S)-methylsulfinyl]cyclobutyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-[[1-[(S)-methylsulfinyl]cyclobutyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-[[1-[(S)-methylsulfinyl]cyclobutyl]methyl]piperidine-1-carboxamide is C[S@](=O)C1(CNC(=O)N2CCC(Cc3ccccc3)CC2)CCC1.
What is the InChIKey of 4-benzyl-N-[[1-[(S)-methylsulfinyl]cyclobutyl]methyl]piperidine-1-carboxamide?
The InChIKey is ZTEVWEGLABZWOY-DEOSSOPVSA-N. The full InChI is InChI=1S/C19H28N2O2S/c1-24(23)19(10-5-11-19)15-20-18(22)21-12-8-17(9-13-21)14-16-6-3-2-4-7-16/h2-4,6-7,17H,5,8-15H2,1H3,(H,20,22)/t24-/m0/s1.
What are the key properties of 4-benzyl-N-[[1-[(S)-methylsulfinyl]cyclobutyl]methyl]piperidine-1-carboxamide?
4-benzyl-N-[[1-[(S)-methylsulfinyl]cyclobutyl]methyl]piperidine-1-carboxamide has a molecular weight of 348.51 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[[1-[(S)-methylsulfinyl]cyclobutyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 125140570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).