1-[2-[1-(aminomethyl)cyclopentyl]phenyl]-4-methylpiperazine-2,3-dione

C17H23N3O2 — CID 117485626

IUPAC1-[2-[1-(aminomethyl)cyclopentyl]phenyl]-4-methylpiperazine-2,3-dione
SMILESCN1CCN(c2ccccc2C2(CN)CCCC2)C(=O)C1=O
InChIInChI=1S/C17H23N3O2/c1-19-10-11-20(16(22)15(19)21)14-7-3-2-6-13(14)17(12-18)8-4-5-9-17/h2-3,6-7H,4-5,8-12,18H2,1H3
InChIKeyWJUSMPNFYFRIKL-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.26
Rot. Bonds3

About 1-[2-[1-(aminomethyl)cyclopentyl]phenyl]-4-methylpiperazine-2,3-dione

1-[2-[1-(aminomethyl)cyclopentyl]phenyl]-4-methylpiperazine-2,3-dione (PubChem CID 117485626) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[2-[1-(aminomethyl)cyclopentyl]phenyl]-4-methylpiperazine-2,3-dione.

Molecular Properties

Compound Name1-[2-[1-(aminomethyl)cyclopentyl]phenyl]-4-methylpiperazine-2,3-dione
PubChem CID117485626
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-[2-[1-(aminomethyl)cyclopentyl]phenyl]-4-methylpiperazine-2,3-dione
SMILESCN1CCN(c2ccccc2C2(CN)CCCC2)C(=O)C1=O
InChIInChI=1S/C17H23N3O2/c1-19-10-11-20(16(22)15(19)21)14-7-3-2-6-13(14)17(12-18)8-4-5-9-17/h2-3,6-7H,4-5,8-12,18H2,1H3
InChIKeyWJUSMPNFYFRIKL-UHFFFAOYSA-N
XLogP1.26
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[1-(aminomethyl)cyclobutyl]phenyl]-4-methylpiperazine-2,3-dione
CID 117463810
1-[2-[1-(aminomethyl)cyclobutyl]phenyl]-3-methylimidazolidin-2-one
CID 117402473
1-[2-[1-(aminomethyl)cyclobutyl]phenyl]piperazine-2,5-dione
CID 117436012
1-[2-(1-aminocyclohexyl)phenyl]-3-methylimidazolidin-2-one
CID 117436494
[1-(2-piperidin-1-ylphenyl)cyclobutyl]methanamine
CID 117363360
[1-(2-pyrrolidin-1-ylphenyl)cyclopropyl]methanamine
CID 82614208
2-(4-methyl-2,3-dioxopiperazin-1-yl)benzoic acid
CID 117372986
1-[2-(1-amino-2-hydroxyethyl)phenyl]-4-methylpiperazine-2,3-dione
CID 117412521
methyl 2-(4-methyl-2,3-dioxopiperazin-1-yl)benzoate
CID 117026428
[1-[2-(4,5-dihydroimidazol-1-yl)phenyl]cyclobutyl]methanamine
CID 117331102
[1-(2-iodophenyl)cyclopentyl]methanamine
CID 70594144
3-[2-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]butanal
CID 117438273

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(aminomethyl)cyclopentyl]phenyl]-4-methylpiperazine-2,3-dione?
The IUPAC name of 1-[2-[1-(aminomethyl)cyclopentyl]phenyl]-4-methylpiperazine-2,3-dione (CID 117485626) is 1-[2-[1-(aminomethyl)cyclopentyl]phenyl]-4-methylpiperazine-2,3-dione.
What is the SMILES notation for 1-[2-[1-(aminomethyl)cyclopentyl]phenyl]-4-methylpiperazine-2,3-dione?
The canonical SMILES for 1-[2-[1-(aminomethyl)cyclopentyl]phenyl]-4-methylpiperazine-2,3-dione is CN1CCN(c2ccccc2C2(CN)CCCC2)C(=O)C1=O.
What is the InChIKey of 1-[2-[1-(aminomethyl)cyclopentyl]phenyl]-4-methylpiperazine-2,3-dione?
The InChIKey is WJUSMPNFYFRIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-19-10-11-20(16(22)15(19)21)14-7-3-2-6-13(14)17(12-18)8-4-5-9-17/h2-3,6-7H,4-5,8-12,18H2,1H3.
What are the key properties of 1-[2-[1-(aminomethyl)cyclopentyl]phenyl]-4-methylpiperazine-2,3-dione?
1-[2-[1-(aminomethyl)cyclopentyl]phenyl]-4-methylpiperazine-2,3-dione has a molecular weight of 301.39 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(aminomethyl)cyclopentyl]phenyl]-4-methylpiperazine-2,3-dione is sourced from PubChem (CID 117485626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).