[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-morpholin-3-ylmethanone;hydrochloride

C17H23ClFN3O3 — CID 119710339

IUPAC[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-morpholin-3-ylmethanone;hydrochloride
SMILESCl.O=C(c1ccc(F)cc1)N1CCCN(C(=O)C2COCCN2)CC1
InChIInChI=1S/C17H22FN3O3.ClH/c18-14-4-2-13(3-5-14)16(22)20-7-1-8-21(10-9-20)17(23)15-12-24-11-6-19-15;/h2-5,15,19H,1,6-12H2;1H
InChIKeyQKDKRRSZZRXHJL-UHFFFAOYSA-N
MW371.84 g/mol
LogP0.91
Rot. Bonds2

About [4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-morpholin-3-ylmethanone;hydrochloride

[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-morpholin-3-ylmethanone;hydrochloride (PubChem CID 119710339) has the molecular formula C17H23ClFN3O3 and a molecular weight of 371.84 g/mol. Its IUPAC name is [4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-morpholin-3-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-morpholin-3-ylmethanone;hydrochloride
PubChem CID119710339
Molecular FormulaC17H23ClFN3O3
Molecular Weight371.84 g/mol
Exact Mass371.14
IUPAC Name[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-morpholin-3-ylmethanone;hydrochloride
SMILESCl.O=C(c1ccc(F)cc1)N1CCCN(C(=O)C2COCCN2)CC1
InChIInChI=1S/C17H22FN3O3.ClH/c18-14-4-2-13(3-5-14)16(22)20-7-1-8-21(10-9-20)17(23)15-12-24-11-6-19-15;/h2-5,15,19H,1,6-12H2;1H
InChIKeyQKDKRRSZZRXHJL-UHFFFAOYSA-N
XLogP0.91
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.84
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

morpholin-3-yl-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone;hydrochloride
CID 119729255
[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-morpholin-3-ylmethanone;hydrochloride
CID 119710613
[4-(2,5-difluorophenyl)piperazin-1-yl]-morpholin-3-ylmethanone
CID 119887859
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-morpholin-3-ylmethanone;hydrochloride
CID 119743440
[4-(2-fluorophenyl)piperazin-1-yl]-[(3S)-morpholin-3-yl]methanone
CID 124513191
2-(2-fluorophenyl)-1-[4-(morpholine-3-carbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119754847
[(3R)-morpholin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 130992240
cyclohexyl-[4-(morpholine-3-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119755465
[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-[(3R)-morpholin-3-yl]methanone
CID 124686188
(4-fluorophenyl)-(1,4-oxazepan-4-yl)methanone
CID 62060048
4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxylic acid
CID 67493364
[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-morpholin-3-ylmethanone
CID 119894372

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-morpholin-3-ylmethanone;hydrochloride?
The IUPAC name of [4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-morpholin-3-ylmethanone;hydrochloride (CID 119710339) is [4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-morpholin-3-ylmethanone;hydrochloride.
What is the SMILES notation for [4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-morpholin-3-ylmethanone;hydrochloride?
The canonical SMILES for [4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-morpholin-3-ylmethanone;hydrochloride is Cl.O=C(c1ccc(F)cc1)N1CCCN(C(=O)C2COCCN2)CC1.
What is the InChIKey of [4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-morpholin-3-ylmethanone;hydrochloride?
The InChIKey is QKDKRRSZZRXHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O3.ClH/c18-14-4-2-13(3-5-14)16(22)20-7-1-8-21(10-9-20)17(23)15-12-24-11-6-19-15;/h2-5,15,19H,1,6-12H2;1H.
What are the key properties of [4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-morpholin-3-ylmethanone;hydrochloride?
[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-morpholin-3-ylmethanone;hydrochloride has a molecular weight of 371.84 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-morpholin-3-ylmethanone;hydrochloride is sourced from PubChem (CID 119710339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).