1-(2-methylcyclopentyl)-3-propan-2-yl-1,4-diazepane-2,5-dione

C14H24N2O2 — CID 64970378

IUPAC1-(2-methylcyclopentyl)-3-propan-2-yl-1,4-diazepane-2,5-dione
SMILESCC(C)C1NC(=O)CCN(C2CCCC2C)C1=O
InChIInChI=1S/C14H24N2O2/c1-9(2)13-14(18)16(8-7-12(17)15-13)11-6-4-5-10(11)3/h9-11,13H,4-8H2,1-3H3,(H,15,17)
InChIKeyONJQWKGGIJERQO-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.55
Rot. Bonds2

About 1-(2-methylcyclopentyl)-3-propan-2-yl-1,4-diazepane-2,5-dione

1-(2-methylcyclopentyl)-3-propan-2-yl-1,4-diazepane-2,5-dione (PubChem CID 64970378) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(2-methylcyclopentyl)-3-propan-2-yl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name1-(2-methylcyclopentyl)-3-propan-2-yl-1,4-diazepane-2,5-dione
PubChem CID64970378
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-(2-methylcyclopentyl)-3-propan-2-yl-1,4-diazepane-2,5-dione
SMILESCC(C)C1NC(=O)CCN(C2CCCC2C)C1=O
InChIInChI=1S/C14H24N2O2/c1-9(2)13-14(18)16(8-7-12(17)15-13)11-6-4-5-10(11)3/h9-11,13H,4-8H2,1-3H3,(H,15,17)
InChIKeyONJQWKGGIJERQO-UHFFFAOYSA-N
XLogP1.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-propan-2-yl-1,4-diazepane-2,5-dione
CID 64958484
1-(3-methylcyclobutyl)-3-propan-2-yl-1,4-diazepane-2,5-dione
CID 113467507
1-(2-methylcyclopentyl)-1,3-diazinane-2,4-dione
CID 79777374
1-(3-methoxycyclohexyl)-3-propan-2-yl-1,4-diazepane-2,5-dione
CID 64882548
1-(2,3-dimethylcyclohexyl)-3-propyl-1,4-diazepane-2,5-dione
CID 64959174
1-(2,3-dimethylcyclohexyl)-3-ethyl-1,4-diazepane-2,5-dione
CID 64959223
3-butan-2-yl-1-cycloheptyl-1,4-diazepane-2,5-dione
CID 64959828
3-tert-butyl-1-(2,3-dimethylcyclohexyl)-1,4-diazepane-2,5-dione
CID 64959090
3-butan-2-yl-1-(1-methylpiperidin-4-yl)-1,4-diazepane-2,5-dione
CID 64960078
1-(3-methoxypropyl)-3-propan-2-yl-1,4-diazepane-2,5-dione
CID 64884105
1-(3-methoxy-3-methylbutyl)-3-propan-2-yl-1,4-diazepane-2,5-dione
CID 103017037
1-[(1-methylsulfanylcyclopropyl)methyl]-3-propan-2-yl-1,4-diazepane-2,5-dione
CID 114116781

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclopentyl)-3-propan-2-yl-1,4-diazepane-2,5-dione?
The IUPAC name of 1-(2-methylcyclopentyl)-3-propan-2-yl-1,4-diazepane-2,5-dione (CID 64970378) is 1-(2-methylcyclopentyl)-3-propan-2-yl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 1-(2-methylcyclopentyl)-3-propan-2-yl-1,4-diazepane-2,5-dione?
The canonical SMILES for 1-(2-methylcyclopentyl)-3-propan-2-yl-1,4-diazepane-2,5-dione is CC(C)C1NC(=O)CCN(C2CCCC2C)C1=O.
What is the InChIKey of 1-(2-methylcyclopentyl)-3-propan-2-yl-1,4-diazepane-2,5-dione?
The InChIKey is ONJQWKGGIJERQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-9(2)13-14(18)16(8-7-12(17)15-13)11-6-4-5-10(11)3/h9-11,13H,4-8H2,1-3H3,(H,15,17).
What are the key properties of 1-(2-methylcyclopentyl)-3-propan-2-yl-1,4-diazepane-2,5-dione?
1-(2-methylcyclopentyl)-3-propan-2-yl-1,4-diazepane-2,5-dione has a molecular weight of 252.36 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclopentyl)-3-propan-2-yl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64970378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).