6-[(2-phenylphenyl)methyl]-1-(piperidine-4-carbonyl)-4-propyl-1,4-diazepan-5-one

C27H35N3O2 — CID 132779005

IUPAC6-[(2-phenylphenyl)methyl]-1-(piperidine-4-carbonyl)-4-propyl-1,4-diazepan-5-one
SMILESCCCN1CCN(C(=O)C2CCNCC2)CC(Cc2ccccc2-c2ccccc2)C1=O
InChIInChI=1S/C27H35N3O2/c1-2-16-29-17-18-30(26(31)22-12-14-28-15-13-22)20-24(27(29)32)19-23-10-6-7-11-25(23)21-8-4-3-5-9-21/h3-11,22,24,28H,2,12-20H2,1H3
InChIKeyVSPPQQLPBJOOBD-UHFFFAOYSA-N
MW433.60 g/mol
LogP3.59
Rot. Bonds6

About 6-[(2-phenylphenyl)methyl]-1-(piperidine-4-carbonyl)-4-propyl-1,4-diazepan-5-one

6-[(2-phenylphenyl)methyl]-1-(piperidine-4-carbonyl)-4-propyl-1,4-diazepan-5-one (PubChem CID 132779005) has the molecular formula C27H35N3O2 and a molecular weight of 433.60 g/mol. Its IUPAC name is 6-[(2-phenylphenyl)methyl]-1-(piperidine-4-carbonyl)-4-propyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name6-[(2-phenylphenyl)methyl]-1-(piperidine-4-carbonyl)-4-propyl-1,4-diazepan-5-one
PubChem CID132779005
Molecular FormulaC27H35N3O2
Molecular Weight433.60 g/mol
Exact Mass433.27
IUPAC Name6-[(2-phenylphenyl)methyl]-1-(piperidine-4-carbonyl)-4-propyl-1,4-diazepan-5-one
SMILESCCCN1CCN(C(=O)C2CCNCC2)CC(Cc2ccccc2-c2ccccc2)C1=O
InChIInChI=1S/C27H35N3O2/c1-2-16-29-17-18-30(26(31)22-12-14-28-15-13-22)20-24(27(29)32)19-23-10-6-7-11-25(23)21-8-4-3-5-9-21/h3-11,22,24,28H,2,12-20H2,1H3
InChIKeyVSPPQQLPBJOOBD-UHFFFAOYSA-N
XLogP3.59
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-6-[[2-(4-methylphenyl)phenyl]methyl]-1-(piperidine-4-carbonyl)-1,4-diazepan-5-one
CID 132779004
6-[[3-(3-methylphenyl)phenyl]methyl]-1-(piperidine-4-carbonyl)-4-propyl-1,4-diazepan-5-one
CID 132779400
(6R)-1-(cyclopentanecarbonyl)-4-methyl-6-[(2-phenylphenyl)methyl]-1,4-diazepan-5-one
CID 92608529
1-(cyclobutanecarbonyl)-4-methyl-6-[(2-phenylphenyl)methyl]-1,4-diazepan-5-one
CID 110230217
1-(1H-imidazole-5-carbonyl)-6-[(2-phenylphenyl)methyl]-4-propyl-1,4-diazepan-5-one
CID 155987386
1-(2-oxo-1H-pyridine-3-carbonyl)-6-[(2-phenylphenyl)methyl]-4-propyl-1,4-diazepan-5-one
CID 110076098
(6R)-6-[(2-phenylphenyl)methyl]-4-propyl-1-(1H-pyrazole-5-carbonyl)-1,4-diazepan-5-one
CID 92587217
6-[(2-phenylphenyl)methyl]-4-propyl-1-(1H-pyrazole-5-carbonyl)-1,4-diazepan-5-one
CID 110230248
1-(1H-imidazole-2-carbonyl)-6-[(2-phenylphenyl)methyl]-4-propyl-1,4-diazepan-5-one
CID 155983803
6-[[2-(4-methylphenyl)phenyl]methyl]-1-(1-methylpyrazole-3-carbonyl)-4-propyl-1,4-diazepan-5-one
CID 110230718
(6R)-1-[2-(4-methyltriazol-1-yl)acetyl]-6-[(2-phenylphenyl)methyl]-4-propyl-1,4-diazepan-5-one
CID 92587209
4-propyl-1-(1H-pyrazole-5-carbonyl)-6-[(2-pyridin-3-ylphenyl)methyl]-1,4-diazepan-5-one
CID 110091687

Frequently Asked Questions

What is the IUPAC name of 6-[(2-phenylphenyl)methyl]-1-(piperidine-4-carbonyl)-4-propyl-1,4-diazepan-5-one?
The IUPAC name of 6-[(2-phenylphenyl)methyl]-1-(piperidine-4-carbonyl)-4-propyl-1,4-diazepan-5-one (CID 132779005) is 6-[(2-phenylphenyl)methyl]-1-(piperidine-4-carbonyl)-4-propyl-1,4-diazepan-5-one.
What is the SMILES notation for 6-[(2-phenylphenyl)methyl]-1-(piperidine-4-carbonyl)-4-propyl-1,4-diazepan-5-one?
The canonical SMILES for 6-[(2-phenylphenyl)methyl]-1-(piperidine-4-carbonyl)-4-propyl-1,4-diazepan-5-one is CCCN1CCN(C(=O)C2CCNCC2)CC(Cc2ccccc2-c2ccccc2)C1=O.
What is the InChIKey of 6-[(2-phenylphenyl)methyl]-1-(piperidine-4-carbonyl)-4-propyl-1,4-diazepan-5-one?
The InChIKey is VSPPQQLPBJOOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O2/c1-2-16-29-17-18-30(26(31)22-12-14-28-15-13-22)20-24(27(29)32)19-23-10-6-7-11-25(23)21-8-4-3-5-9-21/h3-11,22,24,28H,2,12-20H2,1H3.
What are the key properties of 6-[(2-phenylphenyl)methyl]-1-(piperidine-4-carbonyl)-4-propyl-1,4-diazepan-5-one?
6-[(2-phenylphenyl)methyl]-1-(piperidine-4-carbonyl)-4-propyl-1,4-diazepan-5-one has a molecular weight of 433.60 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-phenylphenyl)methyl]-1-(piperidine-4-carbonyl)-4-propyl-1,4-diazepan-5-one is sourced from PubChem (CID 132779005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).