2-(azetidin-3-yl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one

C13H24N2O2 — CID 116674562

IUPAC2-(azetidin-3-yl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCCCC1CCO)C1CNC1
InChIInChI=1S/C13H24N2O2/c1-10(11-8-14-9-11)13(17)15-6-3-2-4-12(15)5-7-16/h10-12,14,16H,2-9H2,1H3
InChIKeyNLKICEPXFCKHPC-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.61
Rot. Bonds4

About 2-(azetidin-3-yl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one

2-(azetidin-3-yl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one (PubChem CID 116674562) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(azetidin-3-yl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
PubChem CID116674562
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-(azetidin-3-yl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCCCC1CCO)C1CNC1
InChIInChI=1S/C13H24N2O2/c1-10(11-8-14-9-11)13(17)15-6-3-2-4-12(15)5-7-16/h10-12,14,16H,2-9H2,1H3
InChIKeyNLKICEPXFCKHPC-UHFFFAOYSA-N
XLogP0.61
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-yl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 107218055
2-(azetidin-3-yl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 107217840
N-[2-[1-[2-(azetidin-3-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 116676659
(2S)-2-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 61149140
(2S)-2-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 61149139
2-(2-hydroxyethyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 60956630
1-[2-(3-bromopropyl)pyrrolidin-1-yl]-2-cyclopropylpropan-1-one
CID 83150427
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-cyclopropylpropan-1-one
CID 81482767
1-[2-(azetidin-3-yl)propanoyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 116674954
1-[2-(2-aminoethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 63755741
2-(3-aminocyclohexyl)-1-(2-ethylazepan-1-yl)propan-1-one
CID 106593069
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(azetidin-3-yl)propan-1-one
CID 116676460

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-(azetidin-3-yl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one (CID 116674562) is 2-(azetidin-3-yl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-(azetidin-3-yl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-(azetidin-3-yl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one is CC(C(=O)N1CCCCC1CCO)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one?
The InChIKey is NLKICEPXFCKHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10(11-8-14-9-11)13(17)15-6-3-2-4-12(15)5-7-16/h10-12,14,16H,2-9H2,1H3.
What are the key properties of 2-(azetidin-3-yl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one?
2-(azetidin-3-yl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one has a molecular weight of 240.35 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 116674562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).