butanamide;1-phenylpiperidine

C15H24N2O — CID 174698826

IUPACbutanamide;1-phenylpiperidine
SMILESCCCC(N)=O.c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C11H15N.C4H9NO/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-3-4(5)6/h1,3-4,7-8H,2,5-6,9-10H2;2-3H2,1H3,(H2,5,6)
InChIKeyYXXAVUAPYGZJBY-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.95
Rot. Bonds3

About butanamide;1-phenylpiperidine

butanamide;1-phenylpiperidine (PubChem CID 174698826) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is butanamide;1-phenylpiperidine.

Molecular Properties

Compound Namebutanamide;1-phenylpiperidine
PubChem CID174698826
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Namebutanamide;1-phenylpiperidine
SMILESCCCC(N)=O.c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C11H15N.C4H9NO/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-3-4(5)6/h1,3-4,7-8H,2,5-6,9-10H2;2-3H2,1H3,(H2,5,6)
InChIKeyYXXAVUAPYGZJBY-UHFFFAOYSA-N
XLogP2.95
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

carbamic acid;1-phenylpiperidine
CID 161473217
ethane;methanol;1-phenylpiperidine
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ethoxyethane;1-phenylpiperidine
CID 174883082
1-phenylpiperidine;phosphenous acid
CID 174871848
N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025
1-(4-phenyl-1,4-diazepan-1-yl)pentan-1-one
CID 110873769
ethyl formate;1-phenylpiperidine
CID 174893706
(2S)-2-amino-3-methylbutanoic acid;1-phenylpyrrolidine
CID 67230654
1-(4-phenyl-1,4-diazepan-1-yl)propan-1-one
CID 110873765
1-(2-piperidin-1-ylphenyl)butan-1-one
CID 10489705
1-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylethane-1,2-dione
CID 2200683
1-(4-phenylpiperazin-1-yl)butane-1,2-dione
CID 70905363

Frequently Asked Questions

What is the IUPAC name of butanamide;1-phenylpiperidine?
The IUPAC name of butanamide;1-phenylpiperidine (CID 174698826) is butanamide;1-phenylpiperidine.
What is the SMILES notation for butanamide;1-phenylpiperidine?
The canonical SMILES for butanamide;1-phenylpiperidine is CCCC(N)=O.c1ccc(N2CCCCC2)cc1.
What is the InChIKey of butanamide;1-phenylpiperidine?
The InChIKey is YXXAVUAPYGZJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.C4H9NO/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-3-4(5)6/h1,3-4,7-8H,2,5-6,9-10H2;2-3H2,1H3,(H2,5,6).
What are the key properties of butanamide;1-phenylpiperidine?
butanamide;1-phenylpiperidine has a molecular weight of 248.37 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butanamide;1-phenylpiperidine is sourced from PubChem (CID 174698826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).