1-cyclopentyl-4-(cyclopropylmethyl)-1,4-diazepan-5-one

C14H24N2O — CID 26344581

IUPAC1-cyclopentyl-4-(cyclopropylmethyl)-1,4-diazepan-5-one
SMILESO=C1CCN(C2CCCC2)CCN1CC1CC1
InChIInChI=1S/C14H24N2O/c17-14-7-8-15(13-3-1-2-4-13)9-10-16(14)11-12-5-6-12/h12-13H,1-11H2
InChIKeyQWFNZYVFVWCGCV-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.87
Rot. Bonds3

About 1-cyclopentyl-4-(cyclopropylmethyl)-1,4-diazepan-5-one

1-cyclopentyl-4-(cyclopropylmethyl)-1,4-diazepan-5-one (PubChem CID 26344581) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-cyclopentyl-4-(cyclopropylmethyl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-cyclopentyl-4-(cyclopropylmethyl)-1,4-diazepan-5-one
PubChem CID26344581
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-cyclopentyl-4-(cyclopropylmethyl)-1,4-diazepan-5-one
SMILESO=C1CCN(C2CCCC2)CCN1CC1CC1
InChIInChI=1S/C14H24N2O/c17-14-7-8-15(13-3-1-2-4-13)9-10-16(14)11-12-5-6-12/h12-13H,1-11H2
InChIKeyQWFNZYVFVWCGCV-UHFFFAOYSA-N
XLogP1.87
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-chlorophenyl)methyl]-1-cyclopentyl-1,4-diazepan-5-one
CID 42168054
ethane;1-[(4-methylcyclohexyl)methyl]pyrrolidin-2-one
CID 162255523
1-cyclopentyl-4-[2-(4-fluorophenoxy)ethyl]-1,4-diazepan-5-one
CID 42463040
1-(cyclohexylmethyl)-5-(3-methylpiperidin-1-yl)azepan-2-one
CID 45203110
1-(piperidin-4-ylmethyl)pyrrolidin-2-one;dihydrochloride
CID 155973196
1-[(1-tert-butylpiperidin-4-yl)methyl]pyrrolidin-2-one
CID 59776829
1-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]piperidin-2-one
CID 119931911
1-(cyclopropylmethyl)-4-ethylpiperazin-2-one
CID 170709327
2-[(4-cyclopentylpiperazin-1-yl)methyl]-4-methylcyclohexan-1-one
CID 62612244
6-(3-aminopropyl)-1,6-diazabicyclo[16.4.0]docosan-7-one
CID 544111
4-(cyclopropylmethyl)-1-(2-phenylacetyl)-1,4-diazepan-5-one
CID 29184258
1-cyclodecylpyrrolidin-3-one
CID 138676614

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-(cyclopropylmethyl)-1,4-diazepan-5-one?
The IUPAC name of 1-cyclopentyl-4-(cyclopropylmethyl)-1,4-diazepan-5-one (CID 26344581) is 1-cyclopentyl-4-(cyclopropylmethyl)-1,4-diazepan-5-one.
What is the SMILES notation for 1-cyclopentyl-4-(cyclopropylmethyl)-1,4-diazepan-5-one?
The canonical SMILES for 1-cyclopentyl-4-(cyclopropylmethyl)-1,4-diazepan-5-one is O=C1CCN(C2CCCC2)CCN1CC1CC1.
What is the InChIKey of 1-cyclopentyl-4-(cyclopropylmethyl)-1,4-diazepan-5-one?
The InChIKey is QWFNZYVFVWCGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c17-14-7-8-15(13-3-1-2-4-13)9-10-16(14)11-12-5-6-12/h12-13H,1-11H2.
What are the key properties of 1-cyclopentyl-4-(cyclopropylmethyl)-1,4-diazepan-5-one?
1-cyclopentyl-4-(cyclopropylmethyl)-1,4-diazepan-5-one has a molecular weight of 236.36 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-(cyclopropylmethyl)-1,4-diazepan-5-one is sourced from PubChem (CID 26344581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).