1-[(1-methylcyclopentyl)methyl]-3-propylpiperazine-2,5-dione

C14H24N2O2 — CID 64971362

IUPAC1-[(1-methylcyclopentyl)methyl]-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(CC2(C)CCCC2)C1=O
InChIInChI=1S/C14H24N2O2/c1-3-6-11-13(18)16(9-12(17)15-11)10-14(2)7-4-5-8-14/h11H,3-10H2,1-2H3,(H,15,17)
InChIKeySIIHVEPOCUCZGN-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.69
Rot. Bonds4

About 1-[(1-methylcyclopentyl)methyl]-3-propylpiperazine-2,5-dione

1-[(1-methylcyclopentyl)methyl]-3-propylpiperazine-2,5-dione (PubChem CID 64971362) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[(1-methylcyclopentyl)methyl]-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(1-methylcyclopentyl)methyl]-3-propylpiperazine-2,5-dione
PubChem CID64971362
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-[(1-methylcyclopentyl)methyl]-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(CC2(C)CCCC2)C1=O
InChIInChI=1S/C14H24N2O2/c1-3-6-11-13(18)16(9-12(17)15-11)10-14(2)7-4-5-8-14/h11H,3-10H2,1-2H3,(H,15,17)
InChIKeySIIHVEPOCUCZGN-UHFFFAOYSA-N
XLogP1.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-[(1-methylcyclopentyl)methyl]piperazine-2,5-dione
CID 64971281
1-(1-methylcyclohexyl)-3-propylpiperazine-2,5-dione
CID 64968246
3-propyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine-2,5-dione
CID 79351163
1-(4,4-dimethylcyclohexyl)-3-propylpiperazine-2,5-dione
CID 64972911
1-butyl-3-propylpiperazine-2,5-dione
CID 64879982
2-cyclopentyl-3-[(1-methylcyclopentyl)methyl]-5-propylimidazolidin-4-one
CID 83262733
1-(3-methoxypropyl)-3-propylpiperazine-2,5-dione
CID 64879793
1-[(4-chlorophenyl)methyl]-3-propylpiperazine-2,5-dione
CID 64880938
1-[2-(2-methoxyethoxy)ethyl]-3-propylpiperazine-2,5-dione
CID 64880934
1-(1,1-dioxothian-3-yl)-3-propylpiperazine-2,5-dione
CID 64971666
1-(2-tert-butylsulfonylethyl)-3-propylpiperazine-2,5-dione
CID 106733709
1-[(2,6-difluorophenyl)methyl]-3-propylpiperazine-2,5-dione
CID 114934698

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylcyclopentyl)methyl]-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-[(1-methylcyclopentyl)methyl]-3-propylpiperazine-2,5-dione (CID 64971362) is 1-[(1-methylcyclopentyl)methyl]-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(1-methylcyclopentyl)methyl]-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-[(1-methylcyclopentyl)methyl]-3-propylpiperazine-2,5-dione is CCCC1NC(=O)CN(CC2(C)CCCC2)C1=O.
What is the InChIKey of 1-[(1-methylcyclopentyl)methyl]-3-propylpiperazine-2,5-dione?
The InChIKey is SIIHVEPOCUCZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-6-11-13(18)16(9-12(17)15-11)10-14(2)7-4-5-8-14/h11H,3-10H2,1-2H3,(H,15,17).
What are the key properties of 1-[(1-methylcyclopentyl)methyl]-3-propylpiperazine-2,5-dione?
1-[(1-methylcyclopentyl)methyl]-3-propylpiperazine-2,5-dione has a molecular weight of 252.36 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylcyclopentyl)methyl]-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64971362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).