1-[4-(3-methoxypropyl)piperazin-1-yl]propan-2-one

C11H22N2O2 — CID 153411883

IUPAC1-[4-(3-methoxypropyl)piperazin-1-yl]propan-2-one
SMILESCOCCCN1CCN(CC(C)=O)CC1
InChIInChI=1S/C11H22N2O2/c1-11(14)10-13-7-5-12(6-8-13)4-3-9-15-2/h3-10H2,1-2H3
InChIKeyWVLUAYPTLNEUFL-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.23
Rot. Bonds6

About 1-[4-(3-methoxypropyl)piperazin-1-yl]propan-2-one

1-[4-(3-methoxypropyl)piperazin-1-yl]propan-2-one (PubChem CID 153411883) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-[4-(3-methoxypropyl)piperazin-1-yl]propan-2-one.

Molecular Properties

Compound Name1-[4-(3-methoxypropyl)piperazin-1-yl]propan-2-one
PubChem CID153411883
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-[4-(3-methoxypropyl)piperazin-1-yl]propan-2-one
SMILESCOCCCN1CCN(CC(C)=O)CC1
InChIInChI=1S/C11H22N2O2/c1-11(14)10-13-7-5-12(6-8-13)4-3-9-15-2/h3-10H2,1-2H3
InChIKeyWVLUAYPTLNEUFL-UHFFFAOYSA-N
XLogP0.23
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-[4-(3-methoxypropyl)piperazin-1-yl]octan-2-one
CID 171083706
methyl 4-(3-methoxypropyl)piperazine-1-carboxylate
CID 113073390
1-[4-(3-methoxypropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 113073330
2-[4-[3-(2-methoxyethoxy)propyl]-1,4-diazepan-1-yl]acetic acid
CID 103410865
methyl 3-[4-(4-methoxybutyl)piperazin-1-yl]propanoate
CID 112691924
2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazin-1-yl]acetic acid
CID 104564764
10-[4-(3-methoxypropyl)piperazin-1-yl]decan-4-one
CID 169229142
4-(3-methoxypropyl)piperazin-1-amine
CID 158082524
[4-(3-methoxypropyl)piperazin-1-yl]-(1-propan-2-ylcyclopropyl)methanone
CID 156820201
1-(2-bromoethyl)-4-(4-methoxybutyl)piperazine
CID 104649772
1-(2-chloroethyl)-4-(4-methoxybutyl)piperazine
CID 104649698
1-[4-[5-(ethylamino)pentyl]piperazin-1-yl]propan-2-one
CID 66599183

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxypropyl)piperazin-1-yl]propan-2-one?
The IUPAC name of 1-[4-(3-methoxypropyl)piperazin-1-yl]propan-2-one (CID 153411883) is 1-[4-(3-methoxypropyl)piperazin-1-yl]propan-2-one.
What is the SMILES notation for 1-[4-(3-methoxypropyl)piperazin-1-yl]propan-2-one?
The canonical SMILES for 1-[4-(3-methoxypropyl)piperazin-1-yl]propan-2-one is COCCCN1CCN(CC(C)=O)CC1.
What is the InChIKey of 1-[4-(3-methoxypropyl)piperazin-1-yl]propan-2-one?
The InChIKey is WVLUAYPTLNEUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(14)10-13-7-5-12(6-8-13)4-3-9-15-2/h3-10H2,1-2H3.
What are the key properties of 1-[4-(3-methoxypropyl)piperazin-1-yl]propan-2-one?
1-[4-(3-methoxypropyl)piperazin-1-yl]propan-2-one has a molecular weight of 214.31 g/mol, XLogP of 0.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxypropyl)piperazin-1-yl]propan-2-one is sourced from PubChem (CID 153411883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).