4-[2-(1-aminopropyl)phenyl]-3-ethylpiperazin-2-one

C15H23N3O — CID 112678134

IUPAC4-[2-(1-aminopropyl)phenyl]-3-ethylpiperazin-2-one
SMILESCCC(N)c1ccccc1N1CCNC(=O)C1CC
InChIInChI=1S/C15H23N3O/c1-3-12(16)11-7-5-6-8-14(11)18-10-9-17-15(19)13(18)4-2/h5-8,12-13H,3-4,9-10,16H2,1-2H3,(H,17,19)
InChIKeyKCBQSCCNTYSUEZ-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.81
Rot. Bonds4

About 4-[2-(1-aminopropyl)phenyl]-3-ethylpiperazin-2-one

4-[2-(1-aminopropyl)phenyl]-3-ethylpiperazin-2-one (PubChem CID 112678134) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-[2-(1-aminopropyl)phenyl]-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(1-aminopropyl)phenyl]-3-ethylpiperazin-2-one
PubChem CID112678134
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-[2-(1-aminopropyl)phenyl]-3-ethylpiperazin-2-one
SMILESCCC(N)c1ccccc1N1CCNC(=O)C1CC
InChIInChI=1S/C15H23N3O/c1-3-12(16)11-7-5-6-8-14(11)18-10-9-17-15(19)13(18)4-2/h5-8,12-13H,3-4,9-10,16H2,1-2H3,(H,17,19)
InChIKeyKCBQSCCNTYSUEZ-UHFFFAOYSA-N
XLogP1.81
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(1-aminoethyl)phenyl]-3-ethylpiperazin-2-one
CID 63601313
4-(2-amino-3-pyridinyl)-3-ethylpiperazin-2-one
CID 104540385
4-[4-amino-2-(difluoromethyl)phenyl]-3-ethylpiperazin-2-one
CID 55229272
3-ethyl-4-(2-propanoylphenyl)piperazin-2-one
CID 112677437
4-(4-amino-2-chlorophenyl)-3-ethylpiperazin-2-one
CID 55227245
4-[2-[(1R)-1-aminopropyl]phenyl]-3,3-dimethylpiperazin-2-one
CID 103958913
2-amino-3-(2-ethyl-3-oxopiperazin-1-yl)benzamide
CID 113332983
(1R)-1-[2-(2-ethylpyrrolidin-1-yl)phenyl]propan-1-amine
CID 103958582
3-methyl-4-[2-[1-(methylamino)propyl]phenyl]piperazin-2-one
CID 112678132
2-(2-ethyl-3-oxopiperazin-1-yl)-6-fluorobenzenecarbothioamide
CID 79519495
4-(3-amino-5-methylphenyl)-3-ethylpiperazin-2-one
CID 112647787
4-[2-[1-(ethylamino)propyl]phenyl]-3-methylpiperazin-2-one
CID 115995228

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-aminopropyl)phenyl]-3-ethylpiperazin-2-one?
The IUPAC name of 4-[2-(1-aminopropyl)phenyl]-3-ethylpiperazin-2-one (CID 112678134) is 4-[2-(1-aminopropyl)phenyl]-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-[2-(1-aminopropyl)phenyl]-3-ethylpiperazin-2-one?
The canonical SMILES for 4-[2-(1-aminopropyl)phenyl]-3-ethylpiperazin-2-one is CCC(N)c1ccccc1N1CCNC(=O)C1CC.
What is the InChIKey of 4-[2-(1-aminopropyl)phenyl]-3-ethylpiperazin-2-one?
The InChIKey is KCBQSCCNTYSUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-12(16)11-7-5-6-8-14(11)18-10-9-17-15(19)13(18)4-2/h5-8,12-13H,3-4,9-10,16H2,1-2H3,(H,17,19).
What are the key properties of 4-[2-(1-aminopropyl)phenyl]-3-ethylpiperazin-2-one?
4-[2-(1-aminopropyl)phenyl]-3-ethylpiperazin-2-one has a molecular weight of 261.37 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-aminopropyl)phenyl]-3-ethylpiperazin-2-one is sourced from PubChem (CID 112678134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).