4-[4-(4-hydroxypiperidin-1-yl)benzoyl]-1,4-diazepan-2-one

C17H23N3O3 — CID 166218709

IUPAC4-[4-(4-hydroxypiperidin-1-yl)benzoyl]-1,4-diazepan-2-one
SMILESO=C1CN(C(=O)c2ccc(N3CCC(O)CC3)cc2)CCCN1
InChIInChI=1S/C17H23N3O3/c21-15-6-10-19(11-7-15)14-4-2-13(3-5-14)17(23)20-9-1-8-18-16(22)12-20/h2-5,15,21H,1,6-12H2,(H,18,22)
InChIKeyZVSOVRUHIBLEGK-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.61
Rot. Bonds2

About 4-[4-(4-hydroxypiperidin-1-yl)benzoyl]-1,4-diazepan-2-one

4-[4-(4-hydroxypiperidin-1-yl)benzoyl]-1,4-diazepan-2-one (PubChem CID 166218709) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 4-[4-(4-hydroxypiperidin-1-yl)benzoyl]-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-[4-(4-hydroxypiperidin-1-yl)benzoyl]-1,4-diazepan-2-one
PubChem CID166218709
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name4-[4-(4-hydroxypiperidin-1-yl)benzoyl]-1,4-diazepan-2-one
SMILESO=C1CN(C(=O)c2ccc(N3CCC(O)CC3)cc2)CCCN1
InChIInChI=1S/C17H23N3O3/c21-15-6-10-19(11-7-15)14-4-2-13(3-5-14)17(23)20-9-1-8-18-16(22)12-20/h2-5,15,21H,1,6-12H2,(H,18,22)
InChIKeyZVSOVRUHIBLEGK-UHFFFAOYSA-N
XLogP0.61
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dimethylbenzoyl)-1,4-diazepan-2-one
CID 62896266
[4-(3-oxo-1,4-diazepane-1-carbonyl)phenyl]urea
CID 62896644
4-(6-methylpyridine-3-carbonyl)-1,4-diazepan-2-one
CID 62896067
4-(3-bromobenzoyl)-1,4-diazepan-2-one
CID 62896483
4-(4-amino-3-chlorobenzoyl)-1,4-diazepan-2-one
CID 65364125
4-(4-sulfanylbenzoyl)piperazin-2-one
CID 107021530
4-(4-hydrazinylbenzoyl)piperazin-2-one
CID 62241624
azetidin-1-yl-[4-(1,4-diazepan-1-yl)phenyl]methanone
CID 69365668
4-(4-aminobenzoyl)piperazin-2-one;hydrochloride
CID 119681651
4-[6-(dimethylamino)pyridine-3-carbonyl]-1,4-diazepan-2-one
CID 62896061
(4-piperidin-1-ylphenyl)-pyrrolidin-1-ylmethanone
CID 21366931
4-(3-oxopiperazine-1-carbonyl)benzonitrile
CID 24699494

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-hydroxypiperidin-1-yl)benzoyl]-1,4-diazepan-2-one?
The IUPAC name of 4-[4-(4-hydroxypiperidin-1-yl)benzoyl]-1,4-diazepan-2-one (CID 166218709) is 4-[4-(4-hydroxypiperidin-1-yl)benzoyl]-1,4-diazepan-2-one.
What is the SMILES notation for 4-[4-(4-hydroxypiperidin-1-yl)benzoyl]-1,4-diazepan-2-one?
The canonical SMILES for 4-[4-(4-hydroxypiperidin-1-yl)benzoyl]-1,4-diazepan-2-one is O=C1CN(C(=O)c2ccc(N3CCC(O)CC3)cc2)CCCN1.
What is the InChIKey of 4-[4-(4-hydroxypiperidin-1-yl)benzoyl]-1,4-diazepan-2-one?
The InChIKey is ZVSOVRUHIBLEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c21-15-6-10-19(11-7-15)14-4-2-13(3-5-14)17(23)20-9-1-8-18-16(22)12-20/h2-5,15,21H,1,6-12H2,(H,18,22).
What are the key properties of 4-[4-(4-hydroxypiperidin-1-yl)benzoyl]-1,4-diazepan-2-one?
4-[4-(4-hydroxypiperidin-1-yl)benzoyl]-1,4-diazepan-2-one has a molecular weight of 317.39 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-hydroxypiperidin-1-yl)benzoyl]-1,4-diazepan-2-one is sourced from PubChem (CID 166218709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).