7-phenyl-1-(piperidin-4-ylmethyl)-1,4-diazepan-5-one

C17H25N3O — CID 119930634

IUPAC7-phenyl-1-(piperidin-4-ylmethyl)-1,4-diazepan-5-one
SMILESO=C1CC(c2ccccc2)N(CC2CCNCC2)CCN1
InChIInChI=1S/C17H25N3O/c21-17-12-16(15-4-2-1-3-5-15)20(11-10-19-17)13-14-6-8-18-9-7-14/h1-5,14,16,18H,6-13H2,(H,19,21)
InChIKeyNBJRWEDGZCTTLX-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.55
Rot. Bonds3

About 7-phenyl-1-(piperidin-4-ylmethyl)-1,4-diazepan-5-one

7-phenyl-1-(piperidin-4-ylmethyl)-1,4-diazepan-5-one (PubChem CID 119930634) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 7-phenyl-1-(piperidin-4-ylmethyl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name7-phenyl-1-(piperidin-4-ylmethyl)-1,4-diazepan-5-one
PubChem CID119930634
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name7-phenyl-1-(piperidin-4-ylmethyl)-1,4-diazepan-5-one
SMILESO=C1CC(c2ccccc2)N(CC2CCNCC2)CCN1
InChIInChI=1S/C17H25N3O/c21-17-12-16(15-4-2-1-3-5-15)20(11-10-19-17)13-14-6-8-18-9-7-14/h1-5,14,16,18H,6-13H2,(H,19,21)
InChIKeyNBJRWEDGZCTTLX-UHFFFAOYSA-N
XLogP1.55
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-phenyl-1-(piperidin-4-ylmethyl)-1,4-diazepan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-1-(piperidin-4-ylmethyl)piperidine
CID 120847720
1-but-2-ynyl-7-phenyl-1,4-diazepan-5-one
CID 122137393
1-[(3,3-dimethyl-1,4-dioxan-2-yl)methyl]-7-phenyl-1,4-diazepan-5-one
CID 166305180
1-(cyclobutylmethyl)-2-phenylpiperazine
CID 64936519
1-(cyclopentylmethyl)-2-phenylpiperazine
CID 64832948
3-(3-bromophenyl)-4-(piperidin-4-ylmethyl)piperazin-2-one
CID 120850447
methyl 3-[(7R)-5-oxo-7-phenyl-1,4-diazepan-1-yl]propanoate
CID 97062578
(7R)-1-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-7-phenyl-1,4-diazepan-5-one
CID 97092180
1-methyl-8-phenyl-1,4-diazocan-5-one
CID 86192713
1-(oxan-4-ylmethyl)-2-phenylpiperazine
CID 64834544
1-[(2-chloro-3-hydroxyphenyl)methyl]-7-phenyl-1,4-diazepan-5-one
CID 167925140
(7R)-1-[2-(4-chlorophenoxy)ethyl]-7-phenyl-1,4-diazepan-5-one
CID 94547005

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-1-(piperidin-4-ylmethyl)-1,4-diazepan-5-one?
The IUPAC name of 7-phenyl-1-(piperidin-4-ylmethyl)-1,4-diazepan-5-one (CID 119930634) is 7-phenyl-1-(piperidin-4-ylmethyl)-1,4-diazepan-5-one.
What is the SMILES notation for 7-phenyl-1-(piperidin-4-ylmethyl)-1,4-diazepan-5-one?
The canonical SMILES for 7-phenyl-1-(piperidin-4-ylmethyl)-1,4-diazepan-5-one is O=C1CC(c2ccccc2)N(CC2CCNCC2)CCN1.
What is the InChIKey of 7-phenyl-1-(piperidin-4-ylmethyl)-1,4-diazepan-5-one?
The InChIKey is NBJRWEDGZCTTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c21-17-12-16(15-4-2-1-3-5-15)20(11-10-19-17)13-14-6-8-18-9-7-14/h1-5,14,16,18H,6-13H2,(H,19,21).
What are the key properties of 7-phenyl-1-(piperidin-4-ylmethyl)-1,4-diazepan-5-one?
7-phenyl-1-(piperidin-4-ylmethyl)-1,4-diazepan-5-one has a molecular weight of 287.41 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-1-(piperidin-4-ylmethyl)-1,4-diazepan-5-one is sourced from PubChem (CID 119930634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).