phenyl-(5-phenyl-1,4-diazepan-1-yl)methanone

C18H20N2O — CID 51351002

IUPACphenyl-(5-phenyl-1,4-diazepan-1-yl)methanone
SMILESO=C(c1ccccc1)N1CCNC(c2ccccc2)CC1
InChIInChI=1S/C18H20N2O/c21-18(16-9-5-2-6-10-16)20-13-11-17(19-12-14-20)15-7-3-1-4-8-15/h1-10,17,19H,11-14H2
InChIKeyXSGVSOGSYKKCGN-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.86
Rot. Bonds2

About phenyl-(5-phenyl-1,4-diazepan-1-yl)methanone

phenyl-(5-phenyl-1,4-diazepan-1-yl)methanone (PubChem CID 51351002) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is phenyl-(5-phenyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Namephenyl-(5-phenyl-1,4-diazepan-1-yl)methanone
PubChem CID51351002
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Namephenyl-(5-phenyl-1,4-diazepan-1-yl)methanone
SMILESO=C(c1ccccc1)N1CCNC(c2ccccc2)CC1
InChIInChI=1S/C18H20N2O/c21-18(16-9-5-2-6-10-16)20-13-11-17(19-12-14-20)15-7-3-1-4-8-15/h1-10,17,19H,11-14H2
InChIKeyXSGVSOGSYKKCGN-UHFFFAOYSA-N
XLogP2.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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ethane;phenyl(piperazin-1-yl)methanone
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1-[4-[(3S)-3-phenylpiperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione
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1-(1-benzoylpiperidin-4-yl)-1,3-diazinan-2-one
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Frequently Asked Questions

What is the IUPAC name of phenyl-(5-phenyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of phenyl-(5-phenyl-1,4-diazepan-1-yl)methanone (CID 51351002) is phenyl-(5-phenyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for phenyl-(5-phenyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for phenyl-(5-phenyl-1,4-diazepan-1-yl)methanone is O=C(c1ccccc1)N1CCNC(c2ccccc2)CC1.
What is the InChIKey of phenyl-(5-phenyl-1,4-diazepan-1-yl)methanone?
The InChIKey is XSGVSOGSYKKCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c21-18(16-9-5-2-6-10-16)20-13-11-17(19-12-14-20)15-7-3-1-4-8-15/h1-10,17,19H,11-14H2.
What are the key properties of phenyl-(5-phenyl-1,4-diazepan-1-yl)methanone?
phenyl-(5-phenyl-1,4-diazepan-1-yl)methanone has a molecular weight of 280.37 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(5-phenyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 51351002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).