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

C16H21N3O2 — CID 117463796

IUPAC1-[4-(1-aminocyclopentyl)phenyl]-4-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(c2ccc(C3(N)CCCC3)cc2)CC1=O
InChIInChI=1S/C16H21N3O2/c1-18-10-15(21)19(11-14(18)20)13-6-4-12(5-7-13)16(17)8-2-3-9-16/h4-7H,2-3,8-11,17H2,1H3
InChIKeyNJJAOPMFGKZFGO-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.22
Rot. Bonds2

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

1-[4-(1-aminocyclopentyl)phenyl]-4-methylpiperazine-2,5-dione (PubChem CID 117463796) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[4-(1-aminocyclopentyl)phenyl]-4-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[4-(1-aminocyclopentyl)phenyl]-4-methylpiperazine-2,5-dione
PubChem CID117463796
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-[4-(1-aminocyclopentyl)phenyl]-4-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(c2ccc(C3(N)CCCC3)cc2)CC1=O
InChIInChI=1S/C16H21N3O2/c1-18-10-15(21)19(11-14(18)20)13-6-4-12(5-7-13)16(17)8-2-3-9-16/h4-7H,2-3,8-11,17H2,1H3
InChIKeyNJJAOPMFGKZFGO-UHFFFAOYSA-N
XLogP1.22
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1-aminocyclopropyl)phenyl]-4-methylpiperazine-2,5-dione
CID 117402030
1-[4-(1-aminocyclopentyl)phenyl]piperazine-2,5-dione
CID 117436005
1-[4-[(1-aminocyclopropyl)methyl]phenyl]-4-methylpiperazine-2,5-dione
CID 117436102
1-[4-(1-aminocyclobutyl)phenyl]-2-methylpyrazolidin-3-one
CID 117365540
1-[3-[1-(aminomethyl)cyclopentyl]phenyl]-4-methylpiperazine-2,5-dione
CID 117485623
1-[4-(3-aminopropyl)phenyl]-4-methylpiperazine-2,5-dione
CID 117407658
1-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-4-methylpiperazine-2,5-dione
CID 117461675
4-[3-(1-aminocyclopentyl)phenyl]-1-methylpiperazine-2,6-dione
CID 117463789
5-(1-aminocyclopentyl)-1-methyl-3H-indol-2-one
CID 82288908
1-[4-(2-hydroxyethyl)phenyl]-4-methylpiperazine-2,5-dione
CID 117373479
1-(4-methylphenyl)cyclopentan-1-amine;hydrochloride
CID 45380293
1,4,7-trimethyl-1,4,7-triazonane-2,5,8-trione
CID 71358039

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminocyclopentyl)phenyl]-4-methylpiperazine-2,5-dione?
The IUPAC name of 1-[4-(1-aminocyclopentyl)phenyl]-4-methylpiperazine-2,5-dione (CID 117463796) is 1-[4-(1-aminocyclopentyl)phenyl]-4-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[4-(1-aminocyclopentyl)phenyl]-4-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[4-(1-aminocyclopentyl)phenyl]-4-methylpiperazine-2,5-dione is CN1CC(=O)N(c2ccc(C3(N)CCCC3)cc2)CC1=O.
What is the InChIKey of 1-[4-(1-aminocyclopentyl)phenyl]-4-methylpiperazine-2,5-dione?
The InChIKey is NJJAOPMFGKZFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-18-10-15(21)19(11-14(18)20)13-6-4-12(5-7-13)16(17)8-2-3-9-16/h4-7H,2-3,8-11,17H2,1H3.
What are the key properties of 1-[4-(1-aminocyclopentyl)phenyl]-4-methylpiperazine-2,5-dione?
1-[4-(1-aminocyclopentyl)phenyl]-4-methylpiperazine-2,5-dione has a molecular weight of 287.36 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminocyclopentyl)phenyl]-4-methylpiperazine-2,5-dione is sourced from PubChem (CID 117463796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).