1-[4-(azetidin-2-yl)phenyl]-3-piperidin-1-ylpropan-1-one

C17H24N2O — CID 3056731

IUPAC1-[4-(azetidin-2-yl)phenyl]-3-piperidin-1-ylpropan-1-one
SMILESO=C(CCN1CCCCC1)c1ccc(C2CCN2)cc1
InChIInChI=1S/C17H24N2O/c20-17(9-13-19-11-2-1-3-12-19)15-6-4-14(5-7-15)16-8-10-18-16/h4-7,16,18H,1-3,8-13H2
InChIKeyMRKNQAAWKOTOLS-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.78
Rot. Bonds5

About 1-[4-(azetidin-2-yl)phenyl]-3-piperidin-1-ylpropan-1-one

1-[4-(azetidin-2-yl)phenyl]-3-piperidin-1-ylpropan-1-one (PubChem CID 3056731) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-[4-(azetidin-2-yl)phenyl]-3-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(azetidin-2-yl)phenyl]-3-piperidin-1-ylpropan-1-one
PubChem CID3056731
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-[4-(azetidin-2-yl)phenyl]-3-piperidin-1-ylpropan-1-one
SMILESO=C(CCN1CCCCC1)c1ccc(C2CCN2)cc1
InChIInChI=1S/C17H24N2O/c20-17(9-13-19-11-2-1-3-12-19)15-6-4-14(5-7-15)16-8-10-18-16/h4-7,16,18H,1-3,8-13H2
InChIKeyMRKNQAAWKOTOLS-UHFFFAOYSA-N
XLogP2.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)propanoyl]phenyl]propan-1-one;dihydrochloride
CID 52997576
1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 3024978
3-piperidin-1-yl-1-(4-propylphenyl)propan-1-one
CID 94273024
N-[4-(3-piperidin-1-ylpropanoyl)phenyl]acetamide;hydrochloride
CID 54601120
1-(4-phenoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 82051060
1-(3,4-difluorophenyl)-3-piperidin-1-ylpropan-1-one
CID 58514245
3-(4-methylazepan-1-yl)-1-phenylpropan-1-one
CID 55249403
3-(4-tert-butylpiperidin-1-yl)-1-phenylpropan-1-one
CID 62614079
1-(4-methylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064813
3-(4-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one
CID 62613813
1-(3H-inden-5-yl)-3-piperidin-1-ylpropan-1-one
CID 58514231
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-(4-fluorophenyl)propan-1-one
CID 43793238

Frequently Asked Questions

What is the IUPAC name of 1-[4-(azetidin-2-yl)phenyl]-3-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-[4-(azetidin-2-yl)phenyl]-3-piperidin-1-ylpropan-1-one (CID 3056731) is 1-[4-(azetidin-2-yl)phenyl]-3-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-[4-(azetidin-2-yl)phenyl]-3-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-[4-(azetidin-2-yl)phenyl]-3-piperidin-1-ylpropan-1-one is O=C(CCN1CCCCC1)c1ccc(C2CCN2)cc1.
What is the InChIKey of 1-[4-(azetidin-2-yl)phenyl]-3-piperidin-1-ylpropan-1-one?
The InChIKey is MRKNQAAWKOTOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c20-17(9-13-19-11-2-1-3-12-19)15-6-4-14(5-7-15)16-8-10-18-16/h4-7,16,18H,1-3,8-13H2.
What are the key properties of 1-[4-(azetidin-2-yl)phenyl]-3-piperidin-1-ylpropan-1-one?
1-[4-(azetidin-2-yl)phenyl]-3-piperidin-1-ylpropan-1-one has a molecular weight of 272.39 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(azetidin-2-yl)phenyl]-3-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 3056731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).