1-(cyclopentylmethyl)-7-methyl-3-(2-methylpropyl)-1,4-diazepane-2,5-dione

C16H28N2O2 — CID 64883554

IUPAC1-(cyclopentylmethyl)-7-methyl-3-(2-methylpropyl)-1,4-diazepane-2,5-dione
SMILESCC(C)CC1NC(=O)CC(C)N(CC2CCCC2)C1=O
InChIInChI=1S/C16H28N2O2/c1-11(2)8-14-16(20)18(10-13-6-4-5-7-13)12(3)9-15(19)17-14/h11-14H,4-10H2,1-3H3,(H,17,19)
InChIKeyAXGIKWIQZOPTAK-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.33
Rot. Bonds4

About 1-(cyclopentylmethyl)-7-methyl-3-(2-methylpropyl)-1,4-diazepane-2,5-dione

1-(cyclopentylmethyl)-7-methyl-3-(2-methylpropyl)-1,4-diazepane-2,5-dione (PubChem CID 64883554) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-7-methyl-3-(2-methylpropyl)-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-7-methyl-3-(2-methylpropyl)-1,4-diazepane-2,5-dione
PubChem CID64883554
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-(cyclopentylmethyl)-7-methyl-3-(2-methylpropyl)-1,4-diazepane-2,5-dione
SMILESCC(C)CC1NC(=O)CC(C)N(CC2CCCC2)C1=O
InChIInChI=1S/C16H28N2O2/c1-11(2)8-14-16(20)18(10-13-6-4-5-7-13)12(3)9-15(19)17-14/h11-14H,4-10H2,1-3H3,(H,17,19)
InChIKeyAXGIKWIQZOPTAK-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclobutylmethyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64960282
3-cyclohexyl-1-(cyclopropylmethyl)-7-methyl-1,4-diazepane-2,5-dione
CID 64883637
7-methyl-3-(2-methylpropyl)-1-(thiophen-2-ylmethyl)-1,4-diazepane-2,5-dione
CID 64882972
7-methyl-3-(2-methylpropyl)-1-(thiophen-3-ylmethyl)-1,4-diazepane-2,5-dione
CID 64883170
3-ethyl-7-methyl-1-(2-methylpropyl)-1,4-diazepane-2,5-dione
CID 64883241
3-(cyclohexylmethyl)-5-(2-methylpropyl)-2-propylimidazolidin-4-one
CID 83244505
7-methyl-3-(2-methylpropyl)-1-(1,3-thiazol-5-ylmethyl)-1,4-diazepane-2,5-dione
CID 115979748
1-(4-methoxybutan-2-yl)-7-methyl-3-(2-methylpropyl)-1,4-diazepane-2,5-dione
CID 116500153
1-(cyclopropylmethyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
CID 64900957
1-(cyclopentylmethyl)-6-(2-methylpropyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64873014
1-[(1-methylpiperidin-3-yl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione
CID 64967471
1-cyclohexyl-3-(2-methylpropyl)-1,4-diazepane-2,5-dione
CID 64958879

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-7-methyl-3-(2-methylpropyl)-1,4-diazepane-2,5-dione?
The IUPAC name of 1-(cyclopentylmethyl)-7-methyl-3-(2-methylpropyl)-1,4-diazepane-2,5-dione (CID 64883554) is 1-(cyclopentylmethyl)-7-methyl-3-(2-methylpropyl)-1,4-diazepane-2,5-dione.
What is the SMILES notation for 1-(cyclopentylmethyl)-7-methyl-3-(2-methylpropyl)-1,4-diazepane-2,5-dione?
The canonical SMILES for 1-(cyclopentylmethyl)-7-methyl-3-(2-methylpropyl)-1,4-diazepane-2,5-dione is CC(C)CC1NC(=O)CC(C)N(CC2CCCC2)C1=O.
What is the InChIKey of 1-(cyclopentylmethyl)-7-methyl-3-(2-methylpropyl)-1,4-diazepane-2,5-dione?
The InChIKey is AXGIKWIQZOPTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-11(2)8-14-16(20)18(10-13-6-4-5-7-13)12(3)9-15(19)17-14/h11-14H,4-10H2,1-3H3,(H,17,19).
What are the key properties of 1-(cyclopentylmethyl)-7-methyl-3-(2-methylpropyl)-1,4-diazepane-2,5-dione?
1-(cyclopentylmethyl)-7-methyl-3-(2-methylpropyl)-1,4-diazepane-2,5-dione has a molecular weight of 280.41 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-7-methyl-3-(2-methylpropyl)-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64883554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).