4-[2-amino-1-(3-methoxyphenyl)propyl]-3-methylpiperazine-2,6-dione

C15H21N3O3 — CID 66062272

IUPAC4-[2-amino-1-(3-methoxyphenyl)propyl]-3-methylpiperazine-2,6-dione
SMILESCOc1cccc(C(C(C)N)N2CC(=O)NC(=O)C2C)c1
InChIInChI=1S/C15H21N3O3/c1-9(16)14(11-5-4-6-12(7-11)21-3)18-8-13(19)17-15(20)10(18)2/h4-7,9-10,14H,8,16H2,1-3H3,(H,17,19,20)
InChIKeyREVQCNCNOPDDKI-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.43
Rot. Bonds4

About 4-[2-amino-1-(3-methoxyphenyl)propyl]-3-methylpiperazine-2,6-dione

4-[2-amino-1-(3-methoxyphenyl)propyl]-3-methylpiperazine-2,6-dione (PubChem CID 66062272) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-[2-amino-1-(3-methoxyphenyl)propyl]-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-amino-1-(3-methoxyphenyl)propyl]-3-methylpiperazine-2,6-dione
PubChem CID66062272
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name4-[2-amino-1-(3-methoxyphenyl)propyl]-3-methylpiperazine-2,6-dione
SMILESCOc1cccc(C(C(C)N)N2CC(=O)NC(=O)C2C)c1
InChIInChI=1S/C15H21N3O3/c1-9(16)14(11-5-4-6-12(7-11)21-3)18-8-13(19)17-15(20)10(18)2/h4-7,9-10,14H,8,16H2,1-3H3,(H,17,19,20)
InChIKeyREVQCNCNOPDDKI-UHFFFAOYSA-N
XLogP0.43
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-amino-1-(3-methoxyphenyl)propyl]-1-methylpiperazin-2-one
CID 64680055
1-[2-amino-1-(3-methoxyphenyl)propyl]-4-methylpiperidin-3-ol
CID 102956038
1-(7,7-dimethyl-1,4-thiazepan-4-yl)-1-(3-methoxyphenyl)propan-2-amine
CID 107453357
1-(3-methoxyphenyl)ethanamine;hydrochloride
CID 19864848
methane;(1R)-1-(3-methoxyphenyl)ethanamine
CID 160746722
4-(3-methoxyphenyl)piperazine-2,6-dione
CID 63788375
4-(3-methoxyphenyl)-3-methylpiperidine-2,6-dione
CID 79317793
2-cyclopropyl-1-(3-methoxyphenyl)propan-1-amine
CID 115785759
1-(3-methoxyphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537738
1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene
CID 12861418
1-[2-amino-1-(3-methoxyphenyl)butyl]pyrrolidine-3,4-diol
CID 106667955
1-[(R)-(3-methoxyphenyl)-phenylmethyl]pyrazolidin-3-one
CID 102041643

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-1-(3-methoxyphenyl)propyl]-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-[2-amino-1-(3-methoxyphenyl)propyl]-3-methylpiperazine-2,6-dione (CID 66062272) is 4-[2-amino-1-(3-methoxyphenyl)propyl]-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-[2-amino-1-(3-methoxyphenyl)propyl]-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-[2-amino-1-(3-methoxyphenyl)propyl]-3-methylpiperazine-2,6-dione is COc1cccc(C(C(C)N)N2CC(=O)NC(=O)C2C)c1.
What is the InChIKey of 4-[2-amino-1-(3-methoxyphenyl)propyl]-3-methylpiperazine-2,6-dione?
The InChIKey is REVQCNCNOPDDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-9(16)14(11-5-4-6-12(7-11)21-3)18-8-13(19)17-15(20)10(18)2/h4-7,9-10,14H,8,16H2,1-3H3,(H,17,19,20).
What are the key properties of 4-[2-amino-1-(3-methoxyphenyl)propyl]-3-methylpiperazine-2,6-dione?
4-[2-amino-1-(3-methoxyphenyl)propyl]-3-methylpiperazine-2,6-dione has a molecular weight of 291.35 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-1-(3-methoxyphenyl)propyl]-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 66062272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).