(7S)-1-(2-cyclopentylacetyl)-7-phenyl-1,4-diazepan-5-one

C18H24N2O2 — CID 95580414

IUPAC(7S)-1-(2-cyclopentylacetyl)-7-phenyl-1,4-diazepan-5-one
SMILESO=C1C[C@@H](c2ccccc2)N(C(=O)CC2CCCC2)CCN1
InChIInChI=1S/C18H24N2O2/c21-17-13-16(15-8-2-1-3-9-15)20(11-10-19-17)18(22)12-14-6-4-5-7-14/h1-3,8-9,14,16H,4-7,10-13H2,(H,19,21)/t16-/m0/s1
InChIKeyMGEZVHZCBQZSTE-INIZCTEOSA-N
MW300.40 g/mol
LogP2.66
Rot. Bonds3

About (7S)-1-(2-cyclopentylacetyl)-7-phenyl-1,4-diazepan-5-one

(7S)-1-(2-cyclopentylacetyl)-7-phenyl-1,4-diazepan-5-one (PubChem CID 95580414) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is (7S)-1-(2-cyclopentylacetyl)-7-phenyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name(7S)-1-(2-cyclopentylacetyl)-7-phenyl-1,4-diazepan-5-one
PubChem CID95580414
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name(7S)-1-(2-cyclopentylacetyl)-7-phenyl-1,4-diazepan-5-one
SMILESO=C1C[C@@H](c2ccccc2)N(C(=O)CC2CCCC2)CCN1
InChIInChI=1S/C18H24N2O2/c21-17-13-16(15-8-2-1-3-9-15)20(11-10-19-17)18(22)12-14-6-4-5-7-14/h1-3,8-9,14,16H,4-7,10-13H2,(H,19,21)/t16-/m0/s1
InChIKeyMGEZVHZCBQZSTE-INIZCTEOSA-N
XLogP2.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7S)-1-(2-cyclopentylacetyl)-7-phenyl-1,4-diazepan-5-one?
The IUPAC name of (7S)-1-(2-cyclopentylacetyl)-7-phenyl-1,4-diazepan-5-one (CID 95580414) is (7S)-1-(2-cyclopentylacetyl)-7-phenyl-1,4-diazepan-5-one.
What is the SMILES notation for (7S)-1-(2-cyclopentylacetyl)-7-phenyl-1,4-diazepan-5-one?
The canonical SMILES for (7S)-1-(2-cyclopentylacetyl)-7-phenyl-1,4-diazepan-5-one is O=C1C[C@@H](c2ccccc2)N(C(=O)CC2CCCC2)CCN1.
What is the InChIKey of (7S)-1-(2-cyclopentylacetyl)-7-phenyl-1,4-diazepan-5-one?
The InChIKey is MGEZVHZCBQZSTE-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N2O2/c21-17-13-16(15-8-2-1-3-9-15)20(11-10-19-17)18(22)12-14-6-4-5-7-14/h1-3,8-9,14,16H,4-7,10-13H2,(H,19,21)/t16-/m0/s1.
What are the key properties of (7S)-1-(2-cyclopentylacetyl)-7-phenyl-1,4-diazepan-5-one?
(7S)-1-(2-cyclopentylacetyl)-7-phenyl-1,4-diazepan-5-one has a molecular weight of 300.40 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-1-(2-cyclopentylacetyl)-7-phenyl-1,4-diazepan-5-one is sourced from PubChem (CID 95580414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).