1-phenyl-2-(3-piperidin-3-ylpropylamino)ethanone

C16H24N2O — CID 19039430

IUPAC1-phenyl-2-(3-piperidin-3-ylpropylamino)ethanone
SMILESO=C(CNCCCC1CCCNC1)c1ccccc1
InChIInChI=1S/C16H24N2O/c19-16(15-8-2-1-3-9-15)13-18-11-5-7-14-6-4-10-17-12-14/h1-3,8-9,14,17-18H,4-7,10-13H2
InChIKeyRFASOLHOBNIPTB-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.24
Rot. Bonds7

About 1-phenyl-2-(3-piperidin-3-ylpropylamino)ethanone

1-phenyl-2-(3-piperidin-3-ylpropylamino)ethanone (PubChem CID 19039430) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-phenyl-2-(3-piperidin-3-ylpropylamino)ethanone.

Molecular Properties

Compound Name1-phenyl-2-(3-piperidin-3-ylpropylamino)ethanone
PubChem CID19039430
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-phenyl-2-(3-piperidin-3-ylpropylamino)ethanone
SMILESO=C(CNCCCC1CCCNC1)c1ccccc1
InChIInChI=1S/C16H24N2O/c19-16(15-8-2-1-3-9-15)13-18-11-5-7-14-6-4-10-17-12-14/h1-3,8-9,14,17-18H,4-7,10-13H2
InChIKeyRFASOLHOBNIPTB-UHFFFAOYSA-N
XLogP2.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]benzamide;hydrochloride
CID 119557882
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
1-phenyl-3-(2-piperidin-3-ylethyl)urea
CID 60895337
N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]-2-phenylacetamide
CID 119555564
piperidin-3-ylmethyl benzoate
CID 53409803
3-(azepan-4-yl)-1-phenylpropan-1-one
CID 142133654
N-(2-phenylethyl)-2-piperidin-3-ylacetamide
CID 62690707
1-(4-methylphenyl)-2-piperidin-3-ylethanone
CID 84683077
3-chloro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628186
N'-benzyl-N'-methyl-N-(piperidin-3-ylmethyl)propane-1,3-diamine
CID 80553136
1-N-methyl-3-N-(2-piperidin-3-ylethyl)benzene-1,3-dicarboxamide
CID 119559534
N-[4-methylsulfanyl-1-oxo-1-(2-piperidin-3-ylethylamino)butan-2-yl]benzamide;hydrochloride
CID 119556197

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(3-piperidin-3-ylpropylamino)ethanone?
The IUPAC name of 1-phenyl-2-(3-piperidin-3-ylpropylamino)ethanone (CID 19039430) is 1-phenyl-2-(3-piperidin-3-ylpropylamino)ethanone.
What is the SMILES notation for 1-phenyl-2-(3-piperidin-3-ylpropylamino)ethanone?
The canonical SMILES for 1-phenyl-2-(3-piperidin-3-ylpropylamino)ethanone is O=C(CNCCCC1CCCNC1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(3-piperidin-3-ylpropylamino)ethanone?
The InChIKey is RFASOLHOBNIPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c19-16(15-8-2-1-3-9-15)13-18-11-5-7-14-6-4-10-17-12-14/h1-3,8-9,14,17-18H,4-7,10-13H2.
What are the key properties of 1-phenyl-2-(3-piperidin-3-ylpropylamino)ethanone?
1-phenyl-2-(3-piperidin-3-ylpropylamino)ethanone has a molecular weight of 260.38 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(3-piperidin-3-ylpropylamino)ethanone is sourced from PubChem (CID 19039430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).