1-(2-methylpiperazin-1-yl)-3-(oxan-2-yl)propan-1-one

C13H24N2O2 — CID 63951169

IUPAC1-(2-methylpiperazin-1-yl)-3-(oxan-2-yl)propan-1-one
SMILESCC1CNCCN1C(=O)CCC1CCCCO1
InChIInChI=1S/C13H24N2O2/c1-11-10-14-7-8-15(11)13(16)6-5-12-4-2-3-9-17-12/h11-12,14H,2-10H2,1H3
InChIKeyUKTXECRJEMLBNR-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.16
Rot. Bonds3

About 1-(2-methylpiperazin-1-yl)-3-(oxan-2-yl)propan-1-one

1-(2-methylpiperazin-1-yl)-3-(oxan-2-yl)propan-1-one (PubChem CID 63951169) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(2-methylpiperazin-1-yl)-3-(oxan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-methylpiperazin-1-yl)-3-(oxan-2-yl)propan-1-one
PubChem CID63951169
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-(2-methylpiperazin-1-yl)-3-(oxan-2-yl)propan-1-one
SMILESCC1CNCCN1C(=O)CCC1CCCCO1
InChIInChI=1S/C13H24N2O2/c1-11-10-14-7-8-15(11)13(16)6-5-12-4-2-3-9-17-12/h11-12,14H,2-10H2,1H3
InChIKeyUKTXECRJEMLBNR-UHFFFAOYSA-N
XLogP1.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-methylpiperazin-1-yl]-2-(oxolan-2-yl)ethanone
CID 82704997
1-[3-(oxan-2-yl)propanoyl]piperazine-2-carbonitrile
CID 79085472
1-(2-methylpiperazin-1-yl)-2-(oxan-2-ylmethylsulfanyl)ethanone;hydrochloride
CID 119472660
3-cyclohexyl-1-(2-methylpiperazin-1-yl)propan-1-one
CID 62672939
3-(oxan-2-yl)-1-piperazin-1-ylpropan-1-one
CID 63953500
1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-(oxan-2-yl)propan-1-one
CID 120734193
3-ethyl-4-[3-(oxan-2-yl)propanoyl]piperazin-2-one
CID 63940202
3-cyclohexyl-1-(2-methyl-1,4-diazepan-1-yl)propan-1-one
CID 82245084
4-cyclobutyl-1-(2-methylpiperazin-1-yl)butan-1-one
CID 115273063
1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-3-(oxan-2-yl)propan-1-one
CID 63951966
3-cyclopentylsulfonyl-1-(2-methylpiperazin-1-yl)propan-1-one
CID 119472973
1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-3-(oxan-2-yl)propan-1-one
CID 81211564

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperazin-1-yl)-3-(oxan-2-yl)propan-1-one?
The IUPAC name of 1-(2-methylpiperazin-1-yl)-3-(oxan-2-yl)propan-1-one (CID 63951169) is 1-(2-methylpiperazin-1-yl)-3-(oxan-2-yl)propan-1-one.
What is the SMILES notation for 1-(2-methylpiperazin-1-yl)-3-(oxan-2-yl)propan-1-one?
The canonical SMILES for 1-(2-methylpiperazin-1-yl)-3-(oxan-2-yl)propan-1-one is CC1CNCCN1C(=O)CCC1CCCCO1.
What is the InChIKey of 1-(2-methylpiperazin-1-yl)-3-(oxan-2-yl)propan-1-one?
The InChIKey is UKTXECRJEMLBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-11-10-14-7-8-15(11)13(16)6-5-12-4-2-3-9-17-12/h11-12,14H,2-10H2,1H3.
What are the key properties of 1-(2-methylpiperazin-1-yl)-3-(oxan-2-yl)propan-1-one?
1-(2-methylpiperazin-1-yl)-3-(oxan-2-yl)propan-1-one has a molecular weight of 240.35 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpiperazin-1-yl)-3-(oxan-2-yl)propan-1-one is sourced from PubChem (CID 63951169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).