1-[4-(3-aminopropyl)phenyl]-4-methylpiperazine-2,5-dione

C14H19N3O2 — CID 117407658

IUPAC1-[4-(3-aminopropyl)phenyl]-4-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(c2ccc(CCCN)cc2)CC1=O
InChIInChI=1S/C14H19N3O2/c1-16-9-14(19)17(10-13(16)18)12-6-4-11(5-7-12)3-2-8-15/h4-7H,2-3,8-10,15H2,1H3
InChIKeyQZILPIOLMRXDNE-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.38
Rot. Bonds4

About 1-[4-(3-aminopropyl)phenyl]-4-methylpiperazine-2,5-dione

1-[4-(3-aminopropyl)phenyl]-4-methylpiperazine-2,5-dione (PubChem CID 117407658) has the molecular formula C14H19N3O2 and a molecular weight of 261.33 g/mol. Its IUPAC name is 1-[4-(3-aminopropyl)phenyl]-4-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[4-(3-aminopropyl)phenyl]-4-methylpiperazine-2,5-dione
PubChem CID117407658
Molecular FormulaC14H19N3O2
Molecular Weight261.33 g/mol
Exact Mass261.15
IUPAC Name1-[4-(3-aminopropyl)phenyl]-4-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(c2ccc(CCCN)cc2)CC1=O
InChIInChI=1S/C14H19N3O2/c1-16-9-14(19)17(10-13(16)18)12-6-4-11(5-7-12)3-2-8-15/h4-7H,2-3,8-10,15H2,1H3
InChIKeyQZILPIOLMRXDNE-UHFFFAOYSA-N
XLogP0.38
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-aminopropyl)phenyl]-4-methylpiperazine-2,5-dione?
The IUPAC name of 1-[4-(3-aminopropyl)phenyl]-4-methylpiperazine-2,5-dione (CID 117407658) is 1-[4-(3-aminopropyl)phenyl]-4-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[4-(3-aminopropyl)phenyl]-4-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[4-(3-aminopropyl)phenyl]-4-methylpiperazine-2,5-dione is CN1CC(=O)N(c2ccc(CCCN)cc2)CC1=O.
What is the InChIKey of 1-[4-(3-aminopropyl)phenyl]-4-methylpiperazine-2,5-dione?
The InChIKey is QZILPIOLMRXDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-16-9-14(19)17(10-13(16)18)12-6-4-11(5-7-12)3-2-8-15/h4-7H,2-3,8-10,15H2,1H3.
What are the key properties of 1-[4-(3-aminopropyl)phenyl]-4-methylpiperazine-2,5-dione?
1-[4-(3-aminopropyl)phenyl]-4-methylpiperazine-2,5-dione has a molecular weight of 261.33 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-aminopropyl)phenyl]-4-methylpiperazine-2,5-dione is sourced from PubChem (CID 117407658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).