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

C8H17N3O — CID 64683015

IUPAC4-(3-aminopropyl)-1-methylpiperazin-2-one
SMILESCN1CCN(CCCN)CC1=O
InChIInChI=1S/C8H17N3O/c1-10-5-6-11(4-2-3-9)7-8(10)12/h2-7,9H2,1H3
InChIKeyDAPWYZDFCSMREW-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.89
Rot. Bonds3

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

4-(3-aminopropyl)-1-methylpiperazin-2-one (PubChem CID 64683015) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-(3-aminopropyl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(3-aminopropyl)-1-methylpiperazin-2-one
PubChem CID64683015
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name4-(3-aminopropyl)-1-methylpiperazin-2-one
SMILESCN1CCN(CCCN)CC1=O
InChIInChI=1S/C8H17N3O/c1-10-5-6-11(4-2-3-9)7-8(10)12/h2-7,9H2,1H3
InChIKeyDAPWYZDFCSMREW-UHFFFAOYSA-N
XLogP-0.89
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.89
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-methylpiperazin-2-one?
The IUPAC name of 4-(3-aminopropyl)-1-methylpiperazin-2-one (CID 64683015) is 4-(3-aminopropyl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(3-aminopropyl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(3-aminopropyl)-1-methylpiperazin-2-one is CN1CCN(CCCN)CC1=O.
What is the InChIKey of 4-(3-aminopropyl)-1-methylpiperazin-2-one?
The InChIKey is DAPWYZDFCSMREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-10-5-6-11(4-2-3-9)7-8(10)12/h2-7,9H2,1H3.
What are the key properties of 4-(3-aminopropyl)-1-methylpiperazin-2-one?
4-(3-aminopropyl)-1-methylpiperazin-2-one has a molecular weight of 171.24 g/mol, XLogP of -0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-1-methylpiperazin-2-one is sourced from PubChem (CID 64683015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).