3-cyclopropyl-1-[(1-methylcyclopentyl)methyl]-1,4-diazepane-2,5-dione

C15H24N2O2 — CID 64971130

IUPAC3-cyclopropyl-1-[(1-methylcyclopentyl)methyl]-1,4-diazepane-2,5-dione
SMILESCC1(CN2CCC(=O)NC(C3CC3)C2=O)CCCC1
InChIInChI=1S/C15H24N2O2/c1-15(7-2-3-8-15)10-17-9-6-12(18)16-13(14(17)19)11-4-5-11/h11,13H,2-10H2,1H3,(H,16,18)
InChIKeyXVDSZXOSMOZGRK-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.69
Rot. Bonds3

About 3-cyclopropyl-1-[(1-methylcyclopentyl)methyl]-1,4-diazepane-2,5-dione

3-cyclopropyl-1-[(1-methylcyclopentyl)methyl]-1,4-diazepane-2,5-dione (PubChem CID 64971130) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-cyclopropyl-1-[(1-methylcyclopentyl)methyl]-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-[(1-methylcyclopentyl)methyl]-1,4-diazepane-2,5-dione
PubChem CID64971130
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-cyclopropyl-1-[(1-methylcyclopentyl)methyl]-1,4-diazepane-2,5-dione
SMILESCC1(CN2CCC(=O)NC(C3CC3)C2=O)CCCC1
InChIInChI=1S/C15H24N2O2/c1-15(7-2-3-8-15)10-17-9-6-12(18)16-13(14(17)19)11-4-5-11/h11,13H,2-10H2,1H3,(H,16,18)
InChIKeyXVDSZXOSMOZGRK-UHFFFAOYSA-N
XLogP1.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-cyclopropyl-1-[(1-methylcyclopentyl)methyl]-1,4-diazepane-2,5-dione with MolForge

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Related Compounds

3-cyclopropyl-1-[(1-methylcyclopentyl)methyl]piperazine-2,5-dione
CID 64971281
3-cyclohexyl-1-propyl-1,4-diazepane-2,5-dione
CID 64883054
3-cyclohexyl-1-(2,2-dimethylpropyl)-1,4-diazepane-2,5-dione
CID 64963843
3-cyclopropyl-1-[(1-methylpiperidin-3-yl)methyl]-1,4-diazepane-2,5-dione
CID 64967452
3-cyclohexyl-1-(cyclopentylmethyl)-1,4-diazepane-2,5-dione
CID 64881695
3-cyclopropyl-1-(3-methylsulfanylpropyl)-1,4-diazepane-2,5-dione
CID 64972038
1-[(E)-but-2-enyl]-3-cyclohexyl-1,4-diazepane-2,5-dione
CID 107898452
3-cyclopropyl-1-[(3,5-dimethylphenyl)methyl]-1,4-diazepane-2,5-dione
CID 64882673
3-cyclohexyl-1-prop-2-ynyl-1,4-diazepane-2,5-dione
CID 64963770
3-cyclopropyl-1-[(2-ethylphenyl)methyl]-1,4-diazepane-2,5-dione
CID 64973634
3-cyclohexyl-1-(2-methylsulfonylethyl)-1,4-diazepane-2,5-dione
CID 64881696
3-cyclohexyl-1-(3-methoxypropyl)-1,4-diazepane-2,5-dione
CID 64882470

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[(1-methylcyclopentyl)methyl]-1,4-diazepane-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-[(1-methylcyclopentyl)methyl]-1,4-diazepane-2,5-dione (CID 64971130) is 3-cyclopropyl-1-[(1-methylcyclopentyl)methyl]-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-[(1-methylcyclopentyl)methyl]-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-[(1-methylcyclopentyl)methyl]-1,4-diazepane-2,5-dione is CC1(CN2CCC(=O)NC(C3CC3)C2=O)CCCC1.
What is the InChIKey of 3-cyclopropyl-1-[(1-methylcyclopentyl)methyl]-1,4-diazepane-2,5-dione?
The InChIKey is XVDSZXOSMOZGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-15(7-2-3-8-15)10-17-9-6-12(18)16-13(14(17)19)11-4-5-11/h11,13H,2-10H2,1H3,(H,16,18).
What are the key properties of 3-cyclopropyl-1-[(1-methylcyclopentyl)methyl]-1,4-diazepane-2,5-dione?
3-cyclopropyl-1-[(1-methylcyclopentyl)methyl]-1,4-diazepane-2,5-dione has a molecular weight of 264.37 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[(1-methylcyclopentyl)methyl]-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64971130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).