3-(3-aminopropyl)-1-(2-phenylethyl)piperazin-2-one

C15H23N3O — CID 141062429

IUPAC3-(3-aminopropyl)-1-(2-phenylethyl)piperazin-2-one
SMILESNCCCC1NCCN(CCc2ccccc2)C1=O
InChIInChI=1S/C15H23N3O/c16-9-4-7-14-15(19)18(12-10-17-14)11-8-13-5-2-1-3-6-13/h1-3,5-6,14,17H,4,7-12,16H2
InChIKeySWXCBXGXPHQJLW-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.77
Rot. Bonds6

About 3-(3-aminopropyl)-1-(2-phenylethyl)piperazin-2-one

3-(3-aminopropyl)-1-(2-phenylethyl)piperazin-2-one (PubChem CID 141062429) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-(3-aminopropyl)-1-(2-phenylethyl)piperazin-2-one.

Molecular Properties

Compound Name3-(3-aminopropyl)-1-(2-phenylethyl)piperazin-2-one
PubChem CID141062429
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-(3-aminopropyl)-1-(2-phenylethyl)piperazin-2-one
SMILESNCCCC1NCCN(CCc2ccccc2)C1=O
InChIInChI=1S/C15H23N3O/c16-9-4-7-14-15(19)18(12-10-17-14)11-8-13-5-2-1-3-6-13/h1-3,5-6,14,17H,4,7-12,16H2
InChIKeySWXCBXGXPHQJLW-UHFFFAOYSA-N
XLogP0.77
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(1H-indol-3-ylmethyl)-1-(2-phenylethyl)piperazin-2-one;hydrochloride
CID 70203042
(3S)-3-(4-aminobutyl)-4-ethyl-1-(2-phenylethyl)piperazin-2-one
CID 142213060
N-benzyl-2-[3-oxo-4-(3-phenylpropyl)piperazin-2-yl]acetamide;hydrochloride
CID 110283271
(3S)-1-benzyl-3-ethylpiperazin-2-one
CID 45095306
(3R)-3-amino-1-(2-phenylethyl)pyrrolidin-2-one
CID 11096743
(3R)-3-(1H-indol-3-ylmethyl)-1-[2-(4-phenylmethoxyphenyl)ethyl]piperazin-2-one
CID 15391970
N-(2-hydroxyethyl)-N-methyl-2-[3-oxo-4-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 110283222
3-(4-phenylbutyl)-1-pyridin-2-ylpiperazin-2-one
CID 171550384
2-(4-benzyl-3-oxopiperazin-2-yl)acetamide;hydrochloride
CID 110283164
3-[4-(dimethylamino)butyl]-5-(2-phenylethyl)imidazolidin-4-one
CID 114923850
benzyl 2-(3-oxo-4-pent-4-enylpiperazin-2-yl)acetate
CID 110283700
benzyl 2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]acetate
CID 110282921

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-1-(2-phenylethyl)piperazin-2-one?
The IUPAC name of 3-(3-aminopropyl)-1-(2-phenylethyl)piperazin-2-one (CID 141062429) is 3-(3-aminopropyl)-1-(2-phenylethyl)piperazin-2-one.
What is the SMILES notation for 3-(3-aminopropyl)-1-(2-phenylethyl)piperazin-2-one?
The canonical SMILES for 3-(3-aminopropyl)-1-(2-phenylethyl)piperazin-2-one is NCCCC1NCCN(CCc2ccccc2)C1=O.
What is the InChIKey of 3-(3-aminopropyl)-1-(2-phenylethyl)piperazin-2-one?
The InChIKey is SWXCBXGXPHQJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c16-9-4-7-14-15(19)18(12-10-17-14)11-8-13-5-2-1-3-6-13/h1-3,5-6,14,17H,4,7-12,16H2.
What are the key properties of 3-(3-aminopropyl)-1-(2-phenylethyl)piperazin-2-one?
3-(3-aminopropyl)-1-(2-phenylethyl)piperazin-2-one has a molecular weight of 261.37 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-1-(2-phenylethyl)piperazin-2-one is sourced from PubChem (CID 141062429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).