1-[4-[(1-aminocyclopropyl)methyl]phenyl]-4-methylpiperazine-2,5-dione

C15H19N3O2 — CID 117436102

IUPAC1-[4-[(1-aminocyclopropyl)methyl]phenyl]-4-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(c2ccc(CC3(N)CC3)cc2)CC1=O
InChIInChI=1S/C15H19N3O2/c1-17-9-14(20)18(10-13(17)19)12-4-2-11(3-5-12)8-15(16)6-7-15/h2-5H,6-10,16H2,1H3
InChIKeyFOAYLSCCPZCSQD-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.53
Rot. Bonds3

About 1-[4-[(1-aminocyclopropyl)methyl]phenyl]-4-methylpiperazine-2,5-dione

1-[4-[(1-aminocyclopropyl)methyl]phenyl]-4-methylpiperazine-2,5-dione (PubChem CID 117436102) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[4-[(1-aminocyclopropyl)methyl]phenyl]-4-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[4-[(1-aminocyclopropyl)methyl]phenyl]-4-methylpiperazine-2,5-dione
PubChem CID117436102
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-[4-[(1-aminocyclopropyl)methyl]phenyl]-4-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(c2ccc(CC3(N)CC3)cc2)CC1=O
InChIInChI=1S/C15H19N3O2/c1-17-9-14(20)18(10-13(17)19)12-4-2-11(3-5-12)8-15(16)6-7-15/h2-5H,6-10,16H2,1H3
InChIKeyFOAYLSCCPZCSQD-UHFFFAOYSA-N
XLogP0.53
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[(1-aminocyclopropyl)methyl]phenyl]-1-methylpiperazine-2,6-dione
CID 117436103
1-[4-(1-aminocyclopropyl)phenyl]-4-methylpiperazine-2,5-dione
CID 117402030
1-[4-(1-aminocyclopentyl)phenyl]-4-methylpiperazine-2,5-dione
CID 117463796
1-[4-(3-aminopropyl)phenyl]-4-methylpiperazine-2,5-dione
CID 117407658
1-[4-(2-hydroxyethyl)phenyl]-4-methylpiperazine-2,5-dione
CID 117373479
1-[4-[(hydroxyamino)methyl]phenyl]-4-methylpiperazine-2,5-dione
CID 117375820
1-methyl-4-[4-(piperazin-1-ylmethyl)phenyl]piperazine-2,5-dione
CID 117487291
1-[(4-aminophenyl)methyl]-4-methylpiperazine-2,5-dione
CID 79936216
1,4,7-trimethyl-1,4,7-triazonane-2,5,8-trione
CID 71358039
1-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-amine
CID 117436732
1-[3-[1-(aminomethyl)cyclopentyl]phenyl]-4-methylpiperazine-2,5-dione
CID 117485623
1-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-4-methylpiperazine-2,5-dione
CID 117461675

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-aminocyclopropyl)methyl]phenyl]-4-methylpiperazine-2,5-dione?
The IUPAC name of 1-[4-[(1-aminocyclopropyl)methyl]phenyl]-4-methylpiperazine-2,5-dione (CID 117436102) is 1-[4-[(1-aminocyclopropyl)methyl]phenyl]-4-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[4-[(1-aminocyclopropyl)methyl]phenyl]-4-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[4-[(1-aminocyclopropyl)methyl]phenyl]-4-methylpiperazine-2,5-dione is CN1CC(=O)N(c2ccc(CC3(N)CC3)cc2)CC1=O.
What is the InChIKey of 1-[4-[(1-aminocyclopropyl)methyl]phenyl]-4-methylpiperazine-2,5-dione?
The InChIKey is FOAYLSCCPZCSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-17-9-14(20)18(10-13(17)19)12-4-2-11(3-5-12)8-15(16)6-7-15/h2-5H,6-10,16H2,1H3.
What are the key properties of 1-[4-[(1-aminocyclopropyl)methyl]phenyl]-4-methylpiperazine-2,5-dione?
1-[4-[(1-aminocyclopropyl)methyl]phenyl]-4-methylpiperazine-2,5-dione has a molecular weight of 273.34 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-aminocyclopropyl)methyl]phenyl]-4-methylpiperazine-2,5-dione is sourced from PubChem (CID 117436102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).