3-methyl-4-[2-[1-(methylamino)propyl]phenyl]piperazin-2-one

C15H23N3O — CID 112678132

IUPAC3-methyl-4-[2-[1-(methylamino)propyl]phenyl]piperazin-2-one
SMILESCCC(NC)c1ccccc1N1CCNC(=O)C1C
InChIInChI=1S/C15H23N3O/c1-4-13(16-3)12-7-5-6-8-14(12)18-10-9-17-15(19)11(18)2/h5-8,11,13,16H,4,9-10H2,1-3H3,(H,17,19)
InChIKeyCNMVFUONUHENCY-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.68
Rot. Bonds4

About 3-methyl-4-[2-[1-(methylamino)propyl]phenyl]piperazin-2-one

3-methyl-4-[2-[1-(methylamino)propyl]phenyl]piperazin-2-one (PubChem CID 112678132) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-methyl-4-[2-[1-(methylamino)propyl]phenyl]piperazin-2-one.

Molecular Properties

Compound Name3-methyl-4-[2-[1-(methylamino)propyl]phenyl]piperazin-2-one
PubChem CID112678132
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-methyl-4-[2-[1-(methylamino)propyl]phenyl]piperazin-2-one
SMILESCCC(NC)c1ccccc1N1CCNC(=O)C1C
InChIInChI=1S/C15H23N3O/c1-4-13(16-3)12-7-5-6-8-14(12)18-10-9-17-15(19)11(18)2/h5-8,11,13,16H,4,9-10H2,1-3H3,(H,17,19)
InChIKeyCNMVFUONUHENCY-UHFFFAOYSA-N
XLogP1.68
TPSA44.37 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 ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[1-(ethylamino)propyl]phenyl]-3-methylpiperazin-2-one
CID 115995228
3-methyl-4-[2-[1-(methylamino)propyl]phenyl]piperazine-2,6-dione
CID 115995318
3-methyl-4-[2-(propylaminomethyl)phenyl]piperazin-2-one
CID 63606315
4-[2-(1-aminopropyl)phenyl]-3-ethylpiperazin-2-one
CID 112678134
2-(2-methyl-3-oxopiperazin-1-yl)benzonitrile
CID 55217483
1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]phenyl]-N-methylpropan-1-amine
CID 102726801
1-[2-(2-ethylpiperidin-1-yl)phenyl]-N-methylpropan-1-amine
CID 112677835
4-[2-(1-aminoethyl)phenyl]-3-ethylpiperazin-2-one
CID 63601313
1-[2-(2,3-dihydroindol-1-yl)phenyl]-N-methylpropan-1-amine
CID 115994813
1-[2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylpropan-1-amine
CID 115995201
4-[4-fluoro-2-[1-(propylamino)ethyl]phenyl]-3-methylpiperazin-2-one
CID 63594947
4-[4-amino-2-(difluoromethyl)phenyl]-3-methylpiperazin-2-one
CID 63735832

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[2-[1-(methylamino)propyl]phenyl]piperazin-2-one?
The IUPAC name of 3-methyl-4-[2-[1-(methylamino)propyl]phenyl]piperazin-2-one (CID 112678132) is 3-methyl-4-[2-[1-(methylamino)propyl]phenyl]piperazin-2-one.
What is the SMILES notation for 3-methyl-4-[2-[1-(methylamino)propyl]phenyl]piperazin-2-one?
The canonical SMILES for 3-methyl-4-[2-[1-(methylamino)propyl]phenyl]piperazin-2-one is CCC(NC)c1ccccc1N1CCNC(=O)C1C.
What is the InChIKey of 3-methyl-4-[2-[1-(methylamino)propyl]phenyl]piperazin-2-one?
The InChIKey is CNMVFUONUHENCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-13(16-3)12-7-5-6-8-14(12)18-10-9-17-15(19)11(18)2/h5-8,11,13,16H,4,9-10H2,1-3H3,(H,17,19).
What are the key properties of 3-methyl-4-[2-[1-(methylamino)propyl]phenyl]piperazin-2-one?
3-methyl-4-[2-[1-(methylamino)propyl]phenyl]piperazin-2-one has a molecular weight of 261.37 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[2-[1-(methylamino)propyl]phenyl]piperazin-2-one is sourced from PubChem (CID 112678132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).