3-(oxan-2-yl)-1-piperazin-1-ylpropan-1-one

C12H22N2O2 — CID 63953500

IUPAC3-(oxan-2-yl)-1-piperazin-1-ylpropan-1-one
SMILESO=C(CCC1CCCCO1)N1CCNCC1
InChIInChI=1S/C12H22N2O2/c15-12(14-8-6-13-7-9-14)5-4-11-3-1-2-10-16-11/h11,13H,1-10H2
InChIKeyXOFYTGHIPBOQSG-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.77
Rot. Bonds3

About 3-(oxan-2-yl)-1-piperazin-1-ylpropan-1-one

3-(oxan-2-yl)-1-piperazin-1-ylpropan-1-one (PubChem CID 63953500) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-(oxan-2-yl)-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(oxan-2-yl)-1-piperazin-1-ylpropan-1-one
PubChem CID63953500
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-(oxan-2-yl)-1-piperazin-1-ylpropan-1-one
SMILESO=C(CCC1CCCCO1)N1CCNCC1
InChIInChI=1S/C12H22N2O2/c15-12(14-8-6-13-7-9-14)5-4-11-3-1-2-10-16-11/h11,13H,1-10H2
InChIKeyXOFYTGHIPBOQSG-UHFFFAOYSA-N
XLogP0.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(oxan-2-yl)propanoyl]-1,4-diazepan-5-one
CID 63938684
1-[4-(chloromethyl)piperidin-1-yl]-3-(oxan-2-yl)propan-1-one
CID 63951405
1-(4-hydroxy-4-methylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one
CID 80707454
1-(2-methylpiperazin-1-yl)-3-(oxan-2-yl)propan-1-one
CID 63951169
1-[3-(oxan-2-yl)propanoyl]piperazine-2-carbonitrile
CID 79085472
1-(4-bromopiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one
CID 80661560
1-[3-(bromomethyl)pyrrolidin-1-yl]-3-(oxan-2-yl)propan-1-one
CID 80667375
2-[(2R)-4-[3-[(2R)-oxan-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 124515315
2-[(2R)-4-[3-[(2S)-oxan-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 124515314
1-[2-(hydroxymethyl)piperidin-1-yl]-3-(oxan-2-yl)propan-1-one
CID 63951763
1-(3-chloro-4-methylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one
CID 102961397
2-(1,4-diazepan-1-yl)-N-[2-(oxan-2-yl)ethyl]-2-oxoacetamide
CID 106000350

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-yl)-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-(oxan-2-yl)-1-piperazin-1-ylpropan-1-one (CID 63953500) is 3-(oxan-2-yl)-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-(oxan-2-yl)-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-(oxan-2-yl)-1-piperazin-1-ylpropan-1-one is O=C(CCC1CCCCO1)N1CCNCC1.
What is the InChIKey of 3-(oxan-2-yl)-1-piperazin-1-ylpropan-1-one?
The InChIKey is XOFYTGHIPBOQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c15-12(14-8-6-13-7-9-14)5-4-11-3-1-2-10-16-11/h11,13H,1-10H2.
What are the key properties of 3-(oxan-2-yl)-1-piperazin-1-ylpropan-1-one?
3-(oxan-2-yl)-1-piperazin-1-ylpropan-1-one has a molecular weight of 226.32 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-yl)-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 63953500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).