3-methyl-4-[2-(propylaminomethyl)phenyl]piperazin-2-one

C15H23N3O — CID 63606315

IUPAC3-methyl-4-[2-(propylaminomethyl)phenyl]piperazin-2-one
SMILESCCCNCc1ccccc1N1CCNC(=O)C1C
InChIInChI=1S/C15H23N3O/c1-3-8-16-11-13-6-4-5-7-14(13)18-10-9-17-15(19)12(18)2/h4-7,12,16H,3,8-11H2,1-2H3,(H,17,19)
InChIKeyWIMSSNFXVLLZSH-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.51
Rot. Bonds5

About 3-methyl-4-[2-(propylaminomethyl)phenyl]piperazin-2-one

3-methyl-4-[2-(propylaminomethyl)phenyl]piperazin-2-one (PubChem CID 63606315) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-methyl-4-[2-(propylaminomethyl)phenyl]piperazin-2-one.

Molecular Properties

Compound Name3-methyl-4-[2-(propylaminomethyl)phenyl]piperazin-2-one
PubChem CID63606315
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-methyl-4-[2-(propylaminomethyl)phenyl]piperazin-2-one
SMILESCCCNCc1ccccc1N1CCNC(=O)C1C
InChIInChI=1S/C15H23N3O/c1-3-8-16-11-13-6-4-5-7-14(13)18-10-9-17-15(19)12(18)2/h4-7,12,16H,3,8-11H2,1-2H3,(H,17,19)
InChIKeyWIMSSNFXVLLZSH-UHFFFAOYSA-N
XLogP1.51
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-4-[2-[(2-methoxyethylamino)methyl]phenyl]piperazin-2-one
CID 63602572
1-[2-(propylaminomethyl)phenyl]-1,4-diazepan-5-one
CID 63004166
4-[5-chloro-2-(propylaminomethyl)phenyl]-3-ethylpiperazin-2-one
CID 114851215
N-[[2-(2-methylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 43280373
3-methyl-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one
CID 63607028
3-methyl-4-[2-[1-(methylamino)propyl]phenyl]piperazin-2-one
CID 112678132
N-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]propan-1-amine
CID 102884896
4-[2-[1-(ethylamino)propyl]phenyl]-3-methylpiperazin-2-one
CID 115995228
4-[5-chloro-2-[(2-methylpropylamino)methyl]phenyl]-3-methylpiperazin-2-one
CID 114851201
N-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)phenyl]methyl]propan-1-amine
CID 43628414
2-(2-methyl-3-oxopiperazin-1-yl)benzonitrile
CID 55217483
3-methyl-4-[2-[(2-methylpropylamino)methyl]phenyl]piperazine-2,6-dione
CID 66062756

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[2-(propylaminomethyl)phenyl]piperazin-2-one?
The IUPAC name of 3-methyl-4-[2-(propylaminomethyl)phenyl]piperazin-2-one (CID 63606315) is 3-methyl-4-[2-(propylaminomethyl)phenyl]piperazin-2-one.
What is the SMILES notation for 3-methyl-4-[2-(propylaminomethyl)phenyl]piperazin-2-one?
The canonical SMILES for 3-methyl-4-[2-(propylaminomethyl)phenyl]piperazin-2-one is CCCNCc1ccccc1N1CCNC(=O)C1C.
What is the InChIKey of 3-methyl-4-[2-(propylaminomethyl)phenyl]piperazin-2-one?
The InChIKey is WIMSSNFXVLLZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-8-16-11-13-6-4-5-7-14(13)18-10-9-17-15(19)12(18)2/h4-7,12,16H,3,8-11H2,1-2H3,(H,17,19).
What are the key properties of 3-methyl-4-[2-(propylaminomethyl)phenyl]piperazin-2-one?
3-methyl-4-[2-(propylaminomethyl)phenyl]piperazin-2-one has a molecular weight of 261.37 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[2-(propylaminomethyl)phenyl]piperazin-2-one is sourced from PubChem (CID 63606315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).