[4-[2-(azetidin-3-yl)ethyl]piperidin-1-yl]-phenylmethanone

C17H24N2O — CID 90953914

IUPAC[4-[2-(azetidin-3-yl)ethyl]piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(CCC2CNC2)CC1
InChIInChI=1S/C17H24N2O/c20-17(16-4-2-1-3-5-16)19-10-8-14(9-11-19)6-7-15-12-18-13-15/h1-5,14-15,18H,6-13H2
InChIKeyOXOSHKONGOCWRI-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.54
Rot. Bonds4

About [4-[2-(azetidin-3-yl)ethyl]piperidin-1-yl]-phenylmethanone

[4-[2-(azetidin-3-yl)ethyl]piperidin-1-yl]-phenylmethanone (PubChem CID 90953914) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is [4-[2-(azetidin-3-yl)ethyl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[2-(azetidin-3-yl)ethyl]piperidin-1-yl]-phenylmethanone
PubChem CID90953914
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name[4-[2-(azetidin-3-yl)ethyl]piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(CCC2CNC2)CC1
InChIInChI=1S/C17H24N2O/c20-17(16-4-2-1-3-5-16)19-10-8-14(9-11-19)6-7-15-12-18-13-15/h1-5,14-15,18H,6-13H2
InChIKeyOXOSHKONGOCWRI-UHFFFAOYSA-N
XLogP2.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl-[4-(3-phenylpropyl)piperidin-1-yl]methanone
CID 168948503
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2,2-dimethylpropanamide
CID 46378993
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
[4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]-phenylmethanone
CID 142340211
3-(1-benzoylpiperidin-4-yl)-N-(cyclohexylmethyl)propanamide
CID 91913388
(4-ethylazepan-1-yl)-phenylmethanone
CID 23381477
N-[2-(1-benzoylpiperidin-4-yl)ethyl]pentanamide
CID 46379006
3-(1-benzoylpiperidin-4-yl)-N-(4-fluorophenyl)propanamide
CID 91913390
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2-methylbenzamide
CID 46378988
[4-[(E)-4-hydroxybut-2-enyl]piperidin-1-yl]-phenylmethanone
CID 11021598
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-methylbenzamide
CID 46378991

Frequently Asked Questions

What is the IUPAC name of [4-[2-(azetidin-3-yl)ethyl]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-[2-(azetidin-3-yl)ethyl]piperidin-1-yl]-phenylmethanone (CID 90953914) is [4-[2-(azetidin-3-yl)ethyl]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[2-(azetidin-3-yl)ethyl]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[2-(azetidin-3-yl)ethyl]piperidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCC(CCC2CNC2)CC1.
What is the InChIKey of [4-[2-(azetidin-3-yl)ethyl]piperidin-1-yl]-phenylmethanone?
The InChIKey is OXOSHKONGOCWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c20-17(16-4-2-1-3-5-16)19-10-8-14(9-11-19)6-7-15-12-18-13-15/h1-5,14-15,18H,6-13H2.
What are the key properties of [4-[2-(azetidin-3-yl)ethyl]piperidin-1-yl]-phenylmethanone?
[4-[2-(azetidin-3-yl)ethyl]piperidin-1-yl]-phenylmethanone has a molecular weight of 272.39 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(azetidin-3-yl)ethyl]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 90953914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).