4-(3-aminopropyl)-1-propylpiperazin-2-one

C10H21N3O — CID 146274298

IUPAC4-(3-aminopropyl)-1-propylpiperazin-2-one
SMILESCCCN1CCN(CCCN)CC1=O
InChIInChI=1S/C10H21N3O/c1-2-5-13-8-7-12(6-3-4-11)9-10(13)14/h2-9,11H2,1H3
InChIKeyMLQARYAQBWQKRQ-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.11
Rot. Bonds5

About 4-(3-aminopropyl)-1-propylpiperazin-2-one

4-(3-aminopropyl)-1-propylpiperazin-2-one (PubChem CID 146274298) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 4-(3-aminopropyl)-1-propylpiperazin-2-one.

Molecular Properties

Compound Name4-(3-aminopropyl)-1-propylpiperazin-2-one
PubChem CID146274298
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name4-(3-aminopropyl)-1-propylpiperazin-2-one
SMILESCCCN1CCN(CCCN)CC1=O
InChIInChI=1S/C10H21N3O/c1-2-5-13-8-7-12(6-3-4-11)9-10(13)14/h2-9,11H2,1H3
InChIKeyMLQARYAQBWQKRQ-UHFFFAOYSA-N
XLogP-0.11
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-1-propylpiperazin-2-one?
The IUPAC name of 4-(3-aminopropyl)-1-propylpiperazin-2-one (CID 146274298) is 4-(3-aminopropyl)-1-propylpiperazin-2-one.
What is the SMILES notation for 4-(3-aminopropyl)-1-propylpiperazin-2-one?
The canonical SMILES for 4-(3-aminopropyl)-1-propylpiperazin-2-one is CCCN1CCN(CCCN)CC1=O.
What is the InChIKey of 4-(3-aminopropyl)-1-propylpiperazin-2-one?
The InChIKey is MLQARYAQBWQKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-2-5-13-8-7-12(6-3-4-11)9-10(13)14/h2-9,11H2,1H3.
What are the key properties of 4-(3-aminopropyl)-1-propylpiperazin-2-one?
4-(3-aminopropyl)-1-propylpiperazin-2-one has a molecular weight of 199.30 g/mol, XLogP of -0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-1-propylpiperazin-2-one is sourced from PubChem (CID 146274298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).