1-(morpholine-2-carbonyl)-7-phenyl-1,4-diazepan-5-one;hydrochloride

C16H22ClN3O3 — CID 119736164

IUPAC1-(morpholine-2-carbonyl)-7-phenyl-1,4-diazepan-5-one;hydrochloride
SMILESCl.O=C1CC(c2ccccc2)N(C(=O)C2CNCCO2)CCN1
InChIInChI=1S/C16H21N3O3.ClH/c20-15-10-13(12-4-2-1-3-5-12)19(8-6-18-15)16(21)14-11-17-7-9-22-14;/h1-5,13-14,17H,6-11H2,(H,18,20);1H
InChIKeyNCWLNBHLZJQDOG-UHFFFAOYSA-N
MW339.82 g/mol
LogP0.49
Rot. Bonds2

About 1-(morpholine-2-carbonyl)-7-phenyl-1,4-diazepan-5-one;hydrochloride

1-(morpholine-2-carbonyl)-7-phenyl-1,4-diazepan-5-one;hydrochloride (PubChem CID 119736164) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is 1-(morpholine-2-carbonyl)-7-phenyl-1,4-diazepan-5-one;hydrochloride.

Molecular Properties

Compound Name1-(morpholine-2-carbonyl)-7-phenyl-1,4-diazepan-5-one;hydrochloride
PubChem CID119736164
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC Name1-(morpholine-2-carbonyl)-7-phenyl-1,4-diazepan-5-one;hydrochloride
SMILESCl.O=C1CC(c2ccccc2)N(C(=O)C2CNCCO2)CCN1
InChIInChI=1S/C16H21N3O3.ClH/c20-15-10-13(12-4-2-1-3-5-12)19(8-6-18-15)16(21)14-11-17-7-9-22-14;/h1-5,13-14,17H,6-11H2,(H,18,20);1H
InChIKeyNCWLNBHLZJQDOG-UHFFFAOYSA-N
XLogP0.49
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]-[(2S)-morpholin-2-yl]methanone
CID 124694261
[2-(3-methylphenyl)azepan-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119792784
1-[2-(4-aminophenyl)acetyl]-7-phenyl-1,4-diazepan-5-one;hydrochloride
CID 119736138
1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-7-phenyl-1,4-diazepan-5-one;hydrochloride
CID 120623924
morpholin-2-yl-(2-naphthalen-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 119749313
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119700017
(7R)-1-[(1R,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]-7-phenyl-1,4-diazepan-5-one
CID 95283420
[2-(3-methylphenyl)azepan-1-yl]-morpholin-2-ylmethanone
CID 119792785
(7S)-1-[3-[(2S)-oxolan-2-yl]propanoyl]-7-phenyl-1,4-diazepan-5-one
CID 95580426
7-phenyl-1-(3,3,3-trifluoropropanoyl)-1,4-diazepan-5-one
CID 56819649
(7R)-1-[(2S)-2-methylsulfanylpropanoyl]-7-phenyl-1,4-diazepan-5-one
CID 94195535
(7S)-1-[(2R)-2-methylsulfanylpropanoyl]-7-phenyl-1,4-diazepan-5-one
CID 94195538

Frequently Asked Questions

What is the IUPAC name of 1-(morpholine-2-carbonyl)-7-phenyl-1,4-diazepan-5-one;hydrochloride?
The IUPAC name of 1-(morpholine-2-carbonyl)-7-phenyl-1,4-diazepan-5-one;hydrochloride (CID 119736164) is 1-(morpholine-2-carbonyl)-7-phenyl-1,4-diazepan-5-one;hydrochloride.
What is the SMILES notation for 1-(morpholine-2-carbonyl)-7-phenyl-1,4-diazepan-5-one;hydrochloride?
The canonical SMILES for 1-(morpholine-2-carbonyl)-7-phenyl-1,4-diazepan-5-one;hydrochloride is Cl.O=C1CC(c2ccccc2)N(C(=O)C2CNCCO2)CCN1.
What is the InChIKey of 1-(morpholine-2-carbonyl)-7-phenyl-1,4-diazepan-5-one;hydrochloride?
The InChIKey is NCWLNBHLZJQDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3.ClH/c20-15-10-13(12-4-2-1-3-5-12)19(8-6-18-15)16(21)14-11-17-7-9-22-14;/h1-5,13-14,17H,6-11H2,(H,18,20);1H.
What are the key properties of 1-(morpholine-2-carbonyl)-7-phenyl-1,4-diazepan-5-one;hydrochloride?
1-(morpholine-2-carbonyl)-7-phenyl-1,4-diazepan-5-one;hydrochloride has a molecular weight of 339.82 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(morpholine-2-carbonyl)-7-phenyl-1,4-diazepan-5-one;hydrochloride is sourced from PubChem (CID 119736164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).