2-phenyl-N-(piperidin-1-ylmethyl)butanamide

C16H24N2O — CID 117066964

IUPAC2-phenyl-N-(piperidin-1-ylmethyl)butanamide
SMILESCCC(C(=O)NCN1CCCCC1)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-2-15(14-9-5-3-6-10-14)16(19)17-13-18-11-7-4-8-12-18/h3,5-6,9-10,15H,2,4,7-8,11-13H2,1H3,(H,17,19)
InChIKeyJORYREZKSOUJLR-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.74
Rot. Bonds5

About 2-phenyl-N-(piperidin-1-ylmethyl)butanamide

2-phenyl-N-(piperidin-1-ylmethyl)butanamide (PubChem CID 117066964) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-phenyl-N-(piperidin-1-ylmethyl)butanamide.

Molecular Properties

Compound Name2-phenyl-N-(piperidin-1-ylmethyl)butanamide
PubChem CID117066964
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-phenyl-N-(piperidin-1-ylmethyl)butanamide
SMILESCCC(C(=O)NCN1CCCCC1)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-2-15(14-9-5-3-6-10-14)16(19)17-13-18-11-7-4-8-12-18/h3,5-6,9-10,15H,2,4,7-8,11-13H2,1H3,(H,17,19)
InChIKeyJORYREZKSOUJLR-UHFFFAOYSA-N
XLogP2.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-phenyl-N-(2-piperidin-1-ylethyl)propanamide
CID 62878557
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-phenylbutanamide
CID 103970144
N-[2-(2-phenylbutanoylamino)ethyl]cyclopropanecarboxamide
CID 47111718
N-(2-bromoethyl)-2-phenylbutanamide
CID 4632577
N-[(1-aminocyclohexyl)methyl]-2-phenylbutanamide
CID 119404563
N-cycloheptyl-2-phenylbutanamide
CID 2890971
N-[(1-hydroxycyclobutyl)methyl]-2-phenylbutanamide
CID 115643598
(2S)-3-(4-hydroxyphenyl)-2-phenyl-N-(2-piperidin-1-ylethyl)propanamide
CID 97445107
N-[1-(aminomethyl)cyclohexyl]-2-phenylbutanamide
CID 63754584
2-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide
CID 104955284
2-phenyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butanamide
CID 104971899
2-phenyl-3-piperidin-1-ylpropanoic acid;hydrochloride
CID 67449753

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(piperidin-1-ylmethyl)butanamide?
The IUPAC name of 2-phenyl-N-(piperidin-1-ylmethyl)butanamide (CID 117066964) is 2-phenyl-N-(piperidin-1-ylmethyl)butanamide.
What is the SMILES notation for 2-phenyl-N-(piperidin-1-ylmethyl)butanamide?
The canonical SMILES for 2-phenyl-N-(piperidin-1-ylmethyl)butanamide is CCC(C(=O)NCN1CCCCC1)c1ccccc1.
What is the InChIKey of 2-phenyl-N-(piperidin-1-ylmethyl)butanamide?
The InChIKey is JORYREZKSOUJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-15(14-9-5-3-6-10-14)16(19)17-13-18-11-7-4-8-12-18/h3,5-6,9-10,15H,2,4,7-8,11-13H2,1H3,(H,17,19).
What are the key properties of 2-phenyl-N-(piperidin-1-ylmethyl)butanamide?
2-phenyl-N-(piperidin-1-ylmethyl)butanamide has a molecular weight of 260.38 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(piperidin-1-ylmethyl)butanamide is sourced from PubChem (CID 117066964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).