4-[2-[1-(ethylamino)propyl]phenyl]-3-methylpiperazin-2-one

C16H25N3O — CID 115995228

IUPAC4-[2-[1-(ethylamino)propyl]phenyl]-3-methylpiperazin-2-one
SMILESCCNC(CC)c1ccccc1N1CCNC(=O)C1C
InChIInChI=1S/C16H25N3O/c1-4-14(17-5-2)13-8-6-7-9-15(13)19-11-10-18-16(20)12(19)3/h6-9,12,14,17H,4-5,10-11H2,1-3H3,(H,18,20)
InChIKeyNOQGFKWYFUKTIO-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.07
Rot. Bonds5

About 4-[2-[1-(ethylamino)propyl]phenyl]-3-methylpiperazin-2-one

4-[2-[1-(ethylamino)propyl]phenyl]-3-methylpiperazin-2-one (PubChem CID 115995228) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-[2-[1-(ethylamino)propyl]phenyl]-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-[1-(ethylamino)propyl]phenyl]-3-methylpiperazin-2-one
PubChem CID115995228
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name4-[2-[1-(ethylamino)propyl]phenyl]-3-methylpiperazin-2-one
SMILESCCNC(CC)c1ccccc1N1CCNC(=O)C1C
InChIInChI=1S/C16H25N3O/c1-4-14(17-5-2)13-8-6-7-9-15(13)19-11-10-18-16(20)12(19)3/h6-9,12,14,17H,4-5,10-11H2,1-3H3,(H,18,20)
InChIKeyNOQGFKWYFUKTIO-UHFFFAOYSA-N
XLogP2.07
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-[2-[1-(methylamino)propyl]phenyl]piperazin-2-one
CID 112678132
1-[2-[1-(ethylamino)propyl]phenyl]-1,4-diazepan-5-one
CID 115995191
4-[6-[1-(ethylamino)propyl]-3-pyridinyl]-3-methylpiperazin-2-one
CID 115939614
3-methyl-4-[2-[1-(methylamino)propyl]phenyl]piperazine-2,6-dione
CID 115995318
N-ethyl-1-[2-(4-methylpiperidin-1-yl)phenyl]propan-1-amine
CID 112677727
1-[2-(2,5-dimethylpiperidin-1-yl)phenyl]-N-ethylpropan-1-amine
CID 115995307
1-[2-(3,4-dimethylpyrrolidin-1-yl)phenyl]-N-ethylpropan-1-amine
CID 112678203
3-methyl-4-[2-(propylaminomethyl)phenyl]piperazin-2-one
CID 63606315
4-[2-(1-aminopropyl)phenyl]-3-ethylpiperazin-2-one
CID 112678134
1-[2-(azepan-1-yl)phenyl]-N-ethylpropan-1-amine
CID 112677754
N-ethyl-1-(2-pyrazol-1-ylphenyl)propan-1-amine
CID 112678294
2-(2-methyl-3-oxopiperazin-1-yl)benzonitrile
CID 55217483

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(ethylamino)propyl]phenyl]-3-methylpiperazin-2-one?
The IUPAC name of 4-[2-[1-(ethylamino)propyl]phenyl]-3-methylpiperazin-2-one (CID 115995228) is 4-[2-[1-(ethylamino)propyl]phenyl]-3-methylpiperazin-2-one.
What is the SMILES notation for 4-[2-[1-(ethylamino)propyl]phenyl]-3-methylpiperazin-2-one?
The canonical SMILES for 4-[2-[1-(ethylamino)propyl]phenyl]-3-methylpiperazin-2-one is CCNC(CC)c1ccccc1N1CCNC(=O)C1C.
What is the InChIKey of 4-[2-[1-(ethylamino)propyl]phenyl]-3-methylpiperazin-2-one?
The InChIKey is NOQGFKWYFUKTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-4-14(17-5-2)13-8-6-7-9-15(13)19-11-10-18-16(20)12(19)3/h6-9,12,14,17H,4-5,10-11H2,1-3H3,(H,18,20).
What are the key properties of 4-[2-[1-(ethylamino)propyl]phenyl]-3-methylpiperazin-2-one?
4-[2-[1-(ethylamino)propyl]phenyl]-3-methylpiperazin-2-one has a molecular weight of 275.40 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(ethylamino)propyl]phenyl]-3-methylpiperazin-2-one is sourced from PubChem (CID 115995228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).