3-benzyl-N-methyl-4-phenyl-N-piperidin-4-ylbutanamide

C23H30N2O — CID 119443283

IUPAC3-benzyl-N-methyl-4-phenyl-N-piperidin-4-ylbutanamide
SMILESCN(C(=O)CC(Cc1ccccc1)Cc1ccccc1)C1CCNCC1
InChIInChI=1S/C23H30N2O/c1-25(22-12-14-24-15-13-22)23(26)18-21(16-19-8-4-2-5-9-19)17-20-10-6-3-7-11-20/h2-11,21-22,24H,12-18H2,1H3
InChIKeyPEHHZOYGBHNVPQ-UHFFFAOYSA-N
MW350.51 g/mol
LogP3.69
Rot. Bonds7

About 3-benzyl-N-methyl-4-phenyl-N-piperidin-4-ylbutanamide

3-benzyl-N-methyl-4-phenyl-N-piperidin-4-ylbutanamide (PubChem CID 119443283) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is 3-benzyl-N-methyl-4-phenyl-N-piperidin-4-ylbutanamide.

Molecular Properties

Compound Name3-benzyl-N-methyl-4-phenyl-N-piperidin-4-ylbutanamide
PubChem CID119443283
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name3-benzyl-N-methyl-4-phenyl-N-piperidin-4-ylbutanamide
SMILESCN(C(=O)CC(Cc1ccccc1)Cc1ccccc1)C1CCNCC1
InChIInChI=1S/C23H30N2O/c1-25(22-12-14-24-15-13-22)23(26)18-21(16-19-8-4-2-5-9-19)17-20-10-6-3-7-11-20/h2-11,21-22,24H,12-18H2,1H3
InChIKeyPEHHZOYGBHNVPQ-UHFFFAOYSA-N
XLogP3.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

F 1459
CID 162185
N-(1-(Phenylmethyl)-4-piperidinyl)benzamide
CID 40598
Fenpiverinium
CID 71490
cyclo(L-leucyl-L-phenylalanyl)
CID 7076347
N-Cyclohexyl-2-phenylacetamide
CID 82500
(9Z,12Z,15Z)-N-(2-phenylethyl)octadeca-9,12,15-trienamide
CID 155618148
N-cyclohexyl-4-phenylbutanamide
CID 288831
(4-Benzhydrylpiperazin-1-yl)(cyclohexyl)methanone
CID 994313
N-(pentan-2-yl)-2-phenylacetamide
CID 2886843
2-Amino-3-phenyl-1-(piperidin-1-yl)propan-1-one hydrochloride
CID 24761491
N-(1-benzylpiperidin-4-yl)-2-methylbenzamide
CID 702493
N-phenethyl-2-phenylacetamide
CID 138516

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-methyl-4-phenyl-N-piperidin-4-ylbutanamide?
The IUPAC name of 3-benzyl-N-methyl-4-phenyl-N-piperidin-4-ylbutanamide (CID 119443283) is 3-benzyl-N-methyl-4-phenyl-N-piperidin-4-ylbutanamide.
What is the SMILES notation for 3-benzyl-N-methyl-4-phenyl-N-piperidin-4-ylbutanamide?
The canonical SMILES for 3-benzyl-N-methyl-4-phenyl-N-piperidin-4-ylbutanamide is CN(C(=O)CC(Cc1ccccc1)Cc1ccccc1)C1CCNCC1.
What is the InChIKey of 3-benzyl-N-methyl-4-phenyl-N-piperidin-4-ylbutanamide?
The InChIKey is PEHHZOYGBHNVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-25(22-12-14-24-15-13-22)23(26)18-21(16-19-8-4-2-5-9-19)17-20-10-6-3-7-11-20/h2-11,21-22,24H,12-18H2,1H3.
What are the key properties of 3-benzyl-N-methyl-4-phenyl-N-piperidin-4-ylbutanamide?
3-benzyl-N-methyl-4-phenyl-N-piperidin-4-ylbutanamide has a molecular weight of 350.51 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-methyl-4-phenyl-N-piperidin-4-ylbutanamide is sourced from PubChem (CID 119443283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).