1-(1-benzylpiperidine-3-carbonyl)-1,4-diazepan-5-one

C18H25N3O2 — CID 56821816

IUPAC1-(1-benzylpiperidine-3-carbonyl)-1,4-diazepan-5-one
SMILESO=C1CCN(C(=O)C2CCCN(Cc3ccccc3)C2)CCN1
InChIInChI=1S/C18H25N3O2/c22-17-8-11-21(12-9-19-17)18(23)16-7-4-10-20(14-16)13-15-5-2-1-3-6-15/h1-3,5-6,16H,4,7-14H2,(H,19,22)
InChIKeyLBJUFXNGASZSKH-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.25
Rot. Bonds3

About 1-(1-benzylpiperidine-3-carbonyl)-1,4-diazepan-5-one

1-(1-benzylpiperidine-3-carbonyl)-1,4-diazepan-5-one (PubChem CID 56821816) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-(1-benzylpiperidine-3-carbonyl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-(1-benzylpiperidine-3-carbonyl)-1,4-diazepan-5-one
PubChem CID56821816
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-(1-benzylpiperidine-3-carbonyl)-1,4-diazepan-5-one
SMILESO=C1CCN(C(=O)C2CCCN(Cc3ccccc3)C2)CCN1
InChIInChI=1S/C18H25N3O2/c22-17-8-11-21(12-9-19-17)18(23)16-7-4-10-20(14-16)13-15-5-2-1-3-6-15/h1-3,5-6,16H,4,7-14H2,(H,19,22)
InChIKeyLBJUFXNGASZSKH-UHFFFAOYSA-N
XLogP1.25
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-benzylpiperidin-3-yl)-piperazin-1-ylmethanone
CID 119915515
[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185
9-(4-benzylpiperazine-1-carbonyl)-5-(pyridin-3-ylmethyl)-1,5-diazacycloundecan-2-one
CID 110199579
(4-benzylpiperazin-1-yl)-[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanone
CID 93491661
(1-benzylpyrrolidin-3-yl)-pyrrolidin-1-ylmethanone
CID 67294243
(4-benzylpiperazin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
CID 4551047
(3R)-1-[(3R)-1-benzylpiperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 124778099
5-benzoyl-9-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-1,5-diazacycloundecan-2-one
CID 110200071
(4-benzylpiperazin-1-yl)-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 43922259
1-benzylpiperidine-3-carbonyl chloride
CID 22006205
(4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone
CID 23939190

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidine-3-carbonyl)-1,4-diazepan-5-one?
The IUPAC name of 1-(1-benzylpiperidine-3-carbonyl)-1,4-diazepan-5-one (CID 56821816) is 1-(1-benzylpiperidine-3-carbonyl)-1,4-diazepan-5-one.
What is the SMILES notation for 1-(1-benzylpiperidine-3-carbonyl)-1,4-diazepan-5-one?
The canonical SMILES for 1-(1-benzylpiperidine-3-carbonyl)-1,4-diazepan-5-one is O=C1CCN(C(=O)C2CCCN(Cc3ccccc3)C2)CCN1.
What is the InChIKey of 1-(1-benzylpiperidine-3-carbonyl)-1,4-diazepan-5-one?
The InChIKey is LBJUFXNGASZSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c22-17-8-11-21(12-9-19-17)18(23)16-7-4-10-20(14-16)13-15-5-2-1-3-6-15/h1-3,5-6,16H,4,7-14H2,(H,19,22).
What are the key properties of 1-(1-benzylpiperidine-3-carbonyl)-1,4-diazepan-5-one?
1-(1-benzylpiperidine-3-carbonyl)-1,4-diazepan-5-one has a molecular weight of 315.42 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidine-3-carbonyl)-1,4-diazepan-5-one is sourced from PubChem (CID 56821816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).