1-cyclopentyl-4-cyclopropyl-3-(4-methylphenyl)piperazine-2,5-dione

C19H24N2O2 — CID 4302043

IUPAC1-cyclopentyl-4-cyclopropyl-3-(4-methylphenyl)piperazine-2,5-dione
SMILESCc1ccc(C2C(=O)N(C3CCCC3)CC(=O)N2C2CC2)cc1
InChIInChI=1S/C19H24N2O2/c1-13-6-8-14(9-7-13)18-19(23)20(15-4-2-3-5-15)12-17(22)21(18)16-10-11-16/h6-9,15-16,18H,2-5,10-12H2,1H3
InChIKeyYVSGPBOJSUWXCF-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.81
Rot. Bonds3

About 1-cyclopentyl-4-cyclopropyl-3-(4-methylphenyl)piperazine-2,5-dione

1-cyclopentyl-4-cyclopropyl-3-(4-methylphenyl)piperazine-2,5-dione (PubChem CID 4302043) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-cyclopentyl-4-cyclopropyl-3-(4-methylphenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-cyclopentyl-4-cyclopropyl-3-(4-methylphenyl)piperazine-2,5-dione
PubChem CID4302043
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-cyclopentyl-4-cyclopropyl-3-(4-methylphenyl)piperazine-2,5-dione
SMILESCc1ccc(C2C(=O)N(C3CCCC3)CC(=O)N2C2CC2)cc1
InChIInChI=1S/C19H24N2O2/c1-13-6-8-14(9-7-13)18-19(23)20(15-4-2-3-5-15)12-17(22)21(18)16-10-11-16/h6-9,15-16,18H,2-5,10-12H2,1H3
InChIKeyYVSGPBOJSUWXCF-UHFFFAOYSA-N
XLogP2.81
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(S)-[(2S,5R)-2,5-Dimethyl-4-(2-propenyl)-1-piperazinyl]phenylmethyl]-N,N-diethylbenzamide
CID 6604878
Azd-5213
CID 53342708
Figopitant
CID 9914857
N-Methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-2-(4-trifluoromethyl-phenyl)-acetamide
CID 9821780
(1-Isopropylpiperidin-4-yl)(4-(piperidin-1-ylmethyl)phenyl)methanone
CID 10359235
(4-Propan-2-ylpiperazin-1-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 10452850
1-(4-Ethylpiperazin-1-yl)-2-(4-methylphenyl)ethanone
CID 4438911
3-Methyl-1-[4-(4-methyl-benzyl)-piperazin-1-yl]-butan-1-one
CID 742522
N-cyclohexyl-2-(diethylamino)-2-(4-methylphenyl)acetamide
CID 4206052
1-Benzhydryl-4-(cyclopropylcarbonyl)piperazine
CID 902950
6-Benzoyl-9-cyclohexyl-6,9-diazaspiro[4.5]decane-8,10-dione
CID 127049852
N-Methyl-N-(1-phenyl-2-(1-pyrrolidinyl)ethyl)phenylacetamide
CID 190901

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-cyclopropyl-3-(4-methylphenyl)piperazine-2,5-dione?
The IUPAC name of 1-cyclopentyl-4-cyclopropyl-3-(4-methylphenyl)piperazine-2,5-dione (CID 4302043) is 1-cyclopentyl-4-cyclopropyl-3-(4-methylphenyl)piperazine-2,5-dione.
What is the SMILES notation for 1-cyclopentyl-4-cyclopropyl-3-(4-methylphenyl)piperazine-2,5-dione?
The canonical SMILES for 1-cyclopentyl-4-cyclopropyl-3-(4-methylphenyl)piperazine-2,5-dione is Cc1ccc(C2C(=O)N(C3CCCC3)CC(=O)N2C2CC2)cc1.
What is the InChIKey of 1-cyclopentyl-4-cyclopropyl-3-(4-methylphenyl)piperazine-2,5-dione?
The InChIKey is YVSGPBOJSUWXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13-6-8-14(9-7-13)18-19(23)20(15-4-2-3-5-15)12-17(22)21(18)16-10-11-16/h6-9,15-16,18H,2-5,10-12H2,1H3.
What are the key properties of 1-cyclopentyl-4-cyclopropyl-3-(4-methylphenyl)piperazine-2,5-dione?
1-cyclopentyl-4-cyclopropyl-3-(4-methylphenyl)piperazine-2,5-dione has a molecular weight of 312.41 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-cyclopropyl-3-(4-methylphenyl)piperazine-2,5-dione is sourced from PubChem (CID 4302043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).