4-(3-aminopropyl)piperazin-2-one

C7H15N3O — CID 16783913

IUPAC4-(3-aminopropyl)piperazin-2-one
SMILESNCCCN1CCNC(=O)C1
InChIInChI=1S/C7H15N3O/c8-2-1-4-10-5-3-9-7(11)6-10/h1-6,8H2,(H,9,11)
InChIKeyRRUDNGHRYYEPSK-UHFFFAOYSA-N
MW157.22 g/mol
LogP-1.23
Rot. Bonds3

About 4-(3-aminopropyl)piperazin-2-one

4-(3-aminopropyl)piperazin-2-one (PubChem CID 16783913) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 4-(3-aminopropyl)piperazin-2-one.

Molecular Properties

Compound Name4-(3-aminopropyl)piperazin-2-one
PubChem CID16783913
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name4-(3-aminopropyl)piperazin-2-one
SMILESNCCCN1CCNC(=O)C1
InChIInChI=1S/C7H15N3O/c8-2-1-4-10-5-3-9-7(11)6-10/h1-6,8H2,(H,9,11)
InChIKeyRRUDNGHRYYEPSK-UHFFFAOYSA-N
XLogP-1.23
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-Piperazinedione
CID 7817
1-((Pyrrolidine-1-carbonyl)methyl)piperazine
CID 100614
1-Acetylpiperazine
CID 83795
2,3-Piperazinedione
CID 72761
1-Ethyl-2,3-piperazinedione
CID 108812
Piperazin-2-one
CID 231360
2,3-Piperazinedione, 1-methyl-
CID 3042433
1-(Piperazin-1-yl)propan-1-one
CID 3844375
1-Methylpiperazine-2,5-dione
CID 260137
1-Methyl-3-oxopiperazine
CID 13704283
2-(Piperazin-1-yl)acetamide
CID 3409342
2,3-Piperazinedione, 1-butyl-
CID 200627

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)piperazin-2-one?
The IUPAC name of 4-(3-aminopropyl)piperazin-2-one (CID 16783913) is 4-(3-aminopropyl)piperazin-2-one.
What is the SMILES notation for 4-(3-aminopropyl)piperazin-2-one?
The canonical SMILES for 4-(3-aminopropyl)piperazin-2-one is NCCCN1CCNC(=O)C1.
What is the InChIKey of 4-(3-aminopropyl)piperazin-2-one?
The InChIKey is RRUDNGHRYYEPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c8-2-1-4-10-5-3-9-7(11)6-10/h1-6,8H2,(H,9,11).
What are the key properties of 4-(3-aminopropyl)piperazin-2-one?
4-(3-aminopropyl)piperazin-2-one has a molecular weight of 157.22 g/mol, XLogP of -1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)piperazin-2-one is sourced from PubChem (CID 16783913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).