1-[4-(3-aminopropyl)piperazin-1-yl]-3-methoxypropan-1-one

C11H23N3O2 — CID 62588731

IUPAC1-[4-(3-aminopropyl)piperazin-1-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCN(CCCN)CC1
InChIInChI=1S/C11H23N3O2/c1-16-10-3-11(15)14-8-6-13(7-9-14)5-2-4-12/h2-10,12H2,1H3
InChIKeyATZCQMLOUODERQ-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.48
Rot. Bonds6

About 1-[4-(3-aminopropyl)piperazin-1-yl]-3-methoxypropan-1-one

1-[4-(3-aminopropyl)piperazin-1-yl]-3-methoxypropan-1-one (PubChem CID 62588731) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-[4-(3-aminopropyl)piperazin-1-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-[4-(3-aminopropyl)piperazin-1-yl]-3-methoxypropan-1-one
PubChem CID62588731
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name1-[4-(3-aminopropyl)piperazin-1-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCN(CCCN)CC1
InChIInChI=1S/C11H23N3O2/c1-16-10-3-11(15)14-8-6-13(7-9-14)5-2-4-12/h2-10,12H2,1H3
InChIKeyATZCQMLOUODERQ-UHFFFAOYSA-N
XLogP-0.48
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-2-methoxyethanone
CID 61277558
4-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]butan-1-one
CID 119843365
1-[4-(4-aminobutyl)-1,4-diazepan-1-yl]butan-1-one
CID 43251859
methyl 4-(6-aminohexyl)piperazine-1-carboxylate
CID 174315697
3-methoxy-1-piperidin-1-ylpropan-1-one
CID 15751929
1-[4-(4-aminobutyl)piperazin-1-yl]-2-ethoxyethanone
CID 43251793
2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 54956375
1-[4-(2-methoxyethyl)piperazin-1-yl]propan-1-one
CID 59468982
3-[4-[2-(3-methoxypropoxy)ethyl]piperazin-1-yl]propan-1-amine
CID 103178059
1-[4-(4-aminobutyl)piperazin-1-yl]-3-methylbutan-1-one
CID 43251848
3-[4-(2-methoxyethyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 86931018
1-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-2-ethoxyethanone
CID 43251389

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-aminopropyl)piperazin-1-yl]-3-methoxypropan-1-one?
The IUPAC name of 1-[4-(3-aminopropyl)piperazin-1-yl]-3-methoxypropan-1-one (CID 62588731) is 1-[4-(3-aminopropyl)piperazin-1-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 1-[4-(3-aminopropyl)piperazin-1-yl]-3-methoxypropan-1-one?
The canonical SMILES for 1-[4-(3-aminopropyl)piperazin-1-yl]-3-methoxypropan-1-one is COCCC(=O)N1CCN(CCCN)CC1.
What is the InChIKey of 1-[4-(3-aminopropyl)piperazin-1-yl]-3-methoxypropan-1-one?
The InChIKey is ATZCQMLOUODERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-16-10-3-11(15)14-8-6-13(7-9-14)5-2-4-12/h2-10,12H2,1H3.
What are the key properties of 1-[4-(3-aminopropyl)piperazin-1-yl]-3-methoxypropan-1-one?
1-[4-(3-aminopropyl)piperazin-1-yl]-3-methoxypropan-1-one has a molecular weight of 229.32 g/mol, XLogP of -0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-aminopropyl)piperazin-1-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 62588731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).