4-[2-amino-1-(3-methoxyphenyl)propyl]-1-methylpiperazin-2-one

C15H23N3O2 — CID 64680055

IUPAC4-[2-amino-1-(3-methoxyphenyl)propyl]-1-methylpiperazin-2-one
SMILESCOc1cccc(C(C(C)N)N2CCN(C)C(=O)C2)c1
InChIInChI=1S/C15H23N3O2/c1-11(16)15(12-5-4-6-13(9-12)20-3)18-8-7-17(2)14(19)10-18/h4-6,9,11,15H,7-8,10,16H2,1-3H3
InChIKeyWHTOALCVABYBFL-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.86
Rot. Bonds4

About 4-[2-amino-1-(3-methoxyphenyl)propyl]-1-methylpiperazin-2-one

4-[2-amino-1-(3-methoxyphenyl)propyl]-1-methylpiperazin-2-one (PubChem CID 64680055) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-[2-amino-1-(3-methoxyphenyl)propyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-amino-1-(3-methoxyphenyl)propyl]-1-methylpiperazin-2-one
PubChem CID64680055
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-[2-amino-1-(3-methoxyphenyl)propyl]-1-methylpiperazin-2-one
SMILESCOc1cccc(C(C(C)N)N2CCN(C)C(=O)C2)c1
InChIInChI=1S/C15H23N3O2/c1-11(16)15(12-5-4-6-13(9-12)20-3)18-8-7-17(2)14(19)10-18/h4-6,9,11,15H,7-8,10,16H2,1-3H3
InChIKeyWHTOALCVABYBFL-UHFFFAOYSA-N
XLogP0.86
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-amino-1-(3-methoxyphenyl)ethyl]-1-methylpiperazin-2-one
CID 64681749
1-(7,7-dimethyl-1,4-thiazepan-4-yl)-1-(3-methoxyphenyl)propan-2-amine
CID 107453357
1-[2-amino-1-(3-methoxyphenyl)propyl]-4-methylpiperidin-3-ol
CID 102956038
3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-1-methylpyrrolidin-2-one
CID 81373632
4-[2-amino-1-(3-methoxyphenyl)propyl]-3-methylpiperazine-2,6-dione
CID 66062272
1-(3-bromophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine
CID 55019574
1-[(1R)-1-(3-methoxyphenyl)-2-methylbutyl]piperazine
CID 171304320
(2R)-2-amino-1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119877596
1-(3-methoxyphenyl)ethanamine;hydrochloride
CID 19864848
methane;(1R)-1-(3-methoxyphenyl)ethanamine
CID 160746722
1-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine
CID 55019304
(3-methoxyphenyl)-piperazin-1-ylmethanamine
CID 116939833

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-1-(3-methoxyphenyl)propyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[2-amino-1-(3-methoxyphenyl)propyl]-1-methylpiperazin-2-one (CID 64680055) is 4-[2-amino-1-(3-methoxyphenyl)propyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[2-amino-1-(3-methoxyphenyl)propyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[2-amino-1-(3-methoxyphenyl)propyl]-1-methylpiperazin-2-one is COc1cccc(C(C(C)N)N2CCN(C)C(=O)C2)c1.
What is the InChIKey of 4-[2-amino-1-(3-methoxyphenyl)propyl]-1-methylpiperazin-2-one?
The InChIKey is WHTOALCVABYBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(16)15(12-5-4-6-13(9-12)20-3)18-8-7-17(2)14(19)10-18/h4-6,9,11,15H,7-8,10,16H2,1-3H3.
What are the key properties of 4-[2-amino-1-(3-methoxyphenyl)propyl]-1-methylpiperazin-2-one?
4-[2-amino-1-(3-methoxyphenyl)propyl]-1-methylpiperazin-2-one has a molecular weight of 277.37 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-1-(3-methoxyphenyl)propyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 64680055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).