4-[3-(1-aminocyclopentyl)phenyl]-1-methylpiperazine-2,6-dione

C16H21N3O2 — CID 117463789

IUPAC4-[3-(1-aminocyclopentyl)phenyl]-1-methylpiperazine-2,6-dione
SMILESCN1C(=O)CN(c2cccc(C3(N)CCCC3)c2)CC1=O
InChIInChI=1S/C16H21N3O2/c1-18-14(20)10-19(11-15(18)21)13-6-4-5-12(9-13)16(17)7-2-3-8-16/h4-6,9H,2-3,7-8,10-11,17H2,1H3
InChIKeyNSVGWXPZRIEBEM-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.22
Rot. Bonds2

About 4-[3-(1-aminocyclopentyl)phenyl]-1-methylpiperazine-2,6-dione

4-[3-(1-aminocyclopentyl)phenyl]-1-methylpiperazine-2,6-dione (PubChem CID 117463789) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-[3-(1-aminocyclopentyl)phenyl]-1-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[3-(1-aminocyclopentyl)phenyl]-1-methylpiperazine-2,6-dione
PubChem CID117463789
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-[3-(1-aminocyclopentyl)phenyl]-1-methylpiperazine-2,6-dione
SMILESCN1C(=O)CN(c2cccc(C3(N)CCCC3)c2)CC1=O
InChIInChI=1S/C16H21N3O2/c1-18-14(20)10-19(11-15(18)21)13-6-4-5-12(9-13)16(17)7-2-3-8-16/h4-6,9H,2-3,7-8,10-11,17H2,1H3
InChIKeyNSVGWXPZRIEBEM-UHFFFAOYSA-N
XLogP1.22
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
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 ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-aminocyclopentyl)phenyl]-1-methylpiperazine-2,6-dione?
The IUPAC name of 4-[3-(1-aminocyclopentyl)phenyl]-1-methylpiperazine-2,6-dione (CID 117463789) is 4-[3-(1-aminocyclopentyl)phenyl]-1-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-[3-(1-aminocyclopentyl)phenyl]-1-methylpiperazine-2,6-dione?
The canonical SMILES for 4-[3-(1-aminocyclopentyl)phenyl]-1-methylpiperazine-2,6-dione is CN1C(=O)CN(c2cccc(C3(N)CCCC3)c2)CC1=O.
What is the InChIKey of 4-[3-(1-aminocyclopentyl)phenyl]-1-methylpiperazine-2,6-dione?
The InChIKey is NSVGWXPZRIEBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-18-14(20)10-19(11-15(18)21)13-6-4-5-12(9-13)16(17)7-2-3-8-16/h4-6,9H,2-3,7-8,10-11,17H2,1H3.
What are the key properties of 4-[3-(1-aminocyclopentyl)phenyl]-1-methylpiperazine-2,6-dione?
4-[3-(1-aminocyclopentyl)phenyl]-1-methylpiperazine-2,6-dione has a molecular weight of 287.36 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-aminocyclopentyl)phenyl]-1-methylpiperazine-2,6-dione is sourced from PubChem (CID 117463789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).