3-cyclopropyl-6,6-dimethyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione

Name: 3-cyclopropyl-6,6-dimethyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₇H₂₂N₂O₂ — CID 64886968

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-cyclopropyl-6,6-dimethyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione

SMILESCc1ccccc1CN1C(=O)C(C2CC2)NC(=O)C1(C)C

InChIInChI=1S/C17H22N2O2/c1-11-6-4-5-7-13(11)10-19-15(20)14(12-8-9-12)18-16(21)17(19,2)3/h4-7,12,14H,8-10H2,1-3H3,(H,18,21)

InChIKeyQDAWQRJOWABFRE-UHFFFAOYSA-N

MW286.38 g/mol

LogP2.01

Rot. Bonds3

About 3-cyclopropyl-6,6-dimethyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione

3-cyclopropyl-6,6-dimethyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione (PubChem CID 64886968) has the molecular formula C₁₇H₂₂N₂O₂ and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-cyclopropyl-6,6-dimethyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name	3-cyclopropyl-6,6-dimethyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione
PubChem CID	64886968
Molecular Formula	C₁₇H₂₂N₂O₂
Molecular Weight	286.38 g/mol
Exact Mass	286.17
IUPAC Name	3-cyclopropyl-6,6-dimethyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione
SMILES	Cc1ccccc1CN1C(=O)C(C2CC2)NC(=O)C1(C)C
InChI	InChI=1S/C17H22N2O2/c1-11-6-4-5-7-13(11)10-19-15(20)14(12-8-9-12)18-16(21)17(19,2)3/h4-7,12,14H,8-10H2,1-3H3,(H,18,21)
InChIKey	QDAWQRJOWABFRE-UHFFFAOYSA-N
XLogP	2.01
TPSA	49.41 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds	3
Heavy Atoms	21
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	286.38
LogP ≤ 5	2.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6,6-dimethyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione?

The IUPAC name of 3-cyclopropyl-6,6-dimethyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione (CID 64886968) is 3-cyclopropyl-6,6-dimethyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione.

What is the SMILES notation for 3-cyclopropyl-6,6-dimethyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione?

The canonical SMILES for 3-cyclopropyl-6,6-dimethyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione is Cc1ccccc1CN1C(=O)C(C2CC2)NC(=O)C1(C)C.

What is the InChIKey of 3-cyclopropyl-6,6-dimethyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione?

The InChIKey is QDAWQRJOWABFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11-6-4-5-7-13(11)10-19-15(20)14(12-8-9-12)18-16(21)17(19,2)3/h4-7,12,14H,8-10H2,1-3H3,(H,18,21).

What are the key properties of 3-cyclopropyl-6,6-dimethyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione?

3-cyclopropyl-6,6-dimethyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione has a molecular weight of 286.38 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropyl-6,6-dimethyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 64886968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 64886968 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.