3-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylpropan-1-one

C19H26FN3O3 — CID 78896045

IUPAC3-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCN1CCCN(C(=O)c2cccc(F)c2)CC1)N1CCOCC1
InChIInChI=1S/C19H26FN3O3/c20-17-4-1-3-16(15-17)19(25)23-7-2-6-21(9-10-23)8-5-18(24)22-11-13-26-14-12-22/h1,3-4,15H,2,5-14H2
InChIKeyWNEIURKXJHBRMF-UHFFFAOYSA-N
MW363.43 g/mol
LogP1.22
Rot. Bonds4

About 3-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylpropan-1-one

3-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 78896045) has the molecular formula C19H26FN3O3 and a molecular weight of 363.43 g/mol. Its IUPAC name is 3-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID78896045
Molecular FormulaC19H26FN3O3
Molecular Weight363.43 g/mol
Exact Mass363.20
IUPAC Name3-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCN1CCCN(C(=O)c2cccc(F)c2)CC1)N1CCOCC1
InChIInChI=1S/C19H26FN3O3/c20-17-4-1-3-16(15-17)19(25)23-7-2-6-21(9-10-23)8-5-18(24)22-11-13-26-14-12-22/h1,3-4,15H,2,5-14H2
InChIKeyWNEIURKXJHBRMF-UHFFFAOYSA-N
XLogP1.22
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-fluorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 113073665
3-amino-1-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119282235
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
1-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-3-phenylpropan-1-one
CID 110798353
(3-fluorophenyl)-[4-[2-(2-hydroxyethoxy)ethyl]-1,4-diazepan-1-yl]methanone
CID 111439517
7-amino-1-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]heptan-1-one
CID 119710558
[4-(2-chloroethyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 39161614
2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]acetonitrile
CID 78860879
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-[(2S)-oxetan-2-yl]propan-1-one
CID 164631101
1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110422667
3-[[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]methyl]benzoic acid
CID 122028616
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylpropan-1-one (CID 78896045) is 3-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylpropan-1-one is O=C(CCN1CCCN(C(=O)c2cccc(F)c2)CC1)N1CCOCC1.
What is the InChIKey of 3-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is WNEIURKXJHBRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O3/c20-17-4-1-3-16(15-17)19(25)23-7-2-6-21(9-10-23)8-5-18(24)22-11-13-26-14-12-22/h1,3-4,15H,2,5-14H2.
What are the key properties of 3-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylpropan-1-one?
3-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 363.43 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 78896045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).