1-[3-[1-(aminomethyl)cyclopentyl]phenyl]-4-methylpiperazine-2,5-dione

C17H23N3O2 — CID 117485623

IUPAC1-[3-[1-(aminomethyl)cyclopentyl]phenyl]-4-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(c2cccc(C3(CN)CCCC3)c2)CC1=O
InChIInChI=1S/C17H23N3O2/c1-19-10-16(22)20(11-15(19)21)14-6-4-5-13(9-14)17(12-18)7-2-3-8-17/h4-6,9H,2-3,7-8,10-12,18H2,1H3
InChIKeyYJOLCSOZTUHGFD-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.26
Rot. Bonds3

About 1-[3-[1-(aminomethyl)cyclopentyl]phenyl]-4-methylpiperazine-2,5-dione

1-[3-[1-(aminomethyl)cyclopentyl]phenyl]-4-methylpiperazine-2,5-dione (PubChem CID 117485623) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[3-[1-(aminomethyl)cyclopentyl]phenyl]-4-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[3-[1-(aminomethyl)cyclopentyl]phenyl]-4-methylpiperazine-2,5-dione
PubChem CID117485623
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-[3-[1-(aminomethyl)cyclopentyl]phenyl]-4-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(c2cccc(C3(CN)CCCC3)c2)CC1=O
InChIInChI=1S/C17H23N3O2/c1-19-10-16(22)20(11-15(19)21)14-6-4-5-13(9-14)17(12-18)7-2-3-8-17/h4-6,9H,2-3,7-8,10-12,18H2,1H3
InChIKeyYJOLCSOZTUHGFD-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

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Related Compounds

1-methyl-4-[3-(2-methylpyrrolidin-2-yl)phenyl]piperazine-2,5-dione
CID 117463866
1-[3-[1-(aminomethyl)cyclohexyl]phenyl]piperazine-2,3-dione
CID 117485632
1-[4-(1-aminocyclopentyl)phenyl]-4-methylpiperazine-2,5-dione
CID 117463796
[1-[3-(1,2,4-triazol-1-yl)phenyl]cyclohexyl]methanamine
CID 117394631
[1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclopentyl]methanamine
CID 117405631
1-methyl-4-[3-(2-oxopropyl)phenyl]piperazine-2,5-dione
CID 117404685
[1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclohexyl]methanamine
CID 117438827
[1-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)cyclopentyl]methanamine
CID 117403045
1-[3-[1-(aminomethyl)cyclopropyl]phenyl]-3-propan-2-ylimidazol-2-one
CID 117431456
4-[4-[1-(aminomethyl)cyclobutyl]phenyl]-1-methylpiperazine-2,6-dione
CID 117463814
1-[3-[(hydroxyamino)methyl]phenyl]-4-methylpiperazine-2,5-dione
CID 117375814
[1-[3-(1-methoxyethyl)phenyl]cyclopentyl]methanamine
CID 117113249

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(aminomethyl)cyclopentyl]phenyl]-4-methylpiperazine-2,5-dione?
The IUPAC name of 1-[3-[1-(aminomethyl)cyclopentyl]phenyl]-4-methylpiperazine-2,5-dione (CID 117485623) is 1-[3-[1-(aminomethyl)cyclopentyl]phenyl]-4-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[3-[1-(aminomethyl)cyclopentyl]phenyl]-4-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[3-[1-(aminomethyl)cyclopentyl]phenyl]-4-methylpiperazine-2,5-dione is CN1CC(=O)N(c2cccc(C3(CN)CCCC3)c2)CC1=O.
What is the InChIKey of 1-[3-[1-(aminomethyl)cyclopentyl]phenyl]-4-methylpiperazine-2,5-dione?
The InChIKey is YJOLCSOZTUHGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-19-10-16(22)20(11-15(19)21)14-6-4-5-13(9-14)17(12-18)7-2-3-8-17/h4-6,9H,2-3,7-8,10-12,18H2,1H3.
What are the key properties of 1-[3-[1-(aminomethyl)cyclopentyl]phenyl]-4-methylpiperazine-2,5-dione?
1-[3-[1-(aminomethyl)cyclopentyl]phenyl]-4-methylpiperazine-2,5-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-[3-[1-(aminomethyl)cyclopentyl]phenyl]-4-methylpiperazine-2,5-dione is sourced from PubChem (CID 117485623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).