(3-fluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone

C19H26FN3O3 — CID 119710592

IUPAC(3-fluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone
SMILESCOC1(C(=O)N2CCCN(C(=O)c3cccc(F)c3)CC2)CCNCC1
InChIInChI=1S/C19H26FN3O3/c1-26-19(6-8-21-9-7-19)18(25)23-11-3-10-22(12-13-23)17(24)15-4-2-5-16(20)14-15/h2,4-5,14,21H,3,6-13H2,1H3
InChIKeyKUBWFAODSXIHON-UHFFFAOYSA-N
MW363.43 g/mol
LogP1.27
Rot. Bonds3

About (3-fluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone

(3-fluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone (PubChem CID 119710592) has the molecular formula C19H26FN3O3 and a molecular weight of 363.43 g/mol. Its IUPAC name is (3-fluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone
PubChem CID119710592
Molecular FormulaC19H26FN3O3
Molecular Weight363.43 g/mol
Exact Mass363.20
IUPAC Name(3-fluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone
SMILESCOC1(C(=O)N2CCCN(C(=O)c3cccc(F)c3)CC2)CCNCC1
InChIInChI=1S/C19H26FN3O3/c1-26-19(6-8-21-9-7-19)18(25)23-11-3-10-22(12-13-23)17(24)15-4-2-5-16(20)14-15/h2,4-5,14,21H,3,6-13H2,1H3
InChIKeyKUBWFAODSXIHON-UHFFFAOYSA-N
XLogP1.27
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-fluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone with MolForge

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Related Compounds

(4-fluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone;hydrochloride
CID 119710373
(3-chlorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone;hydrochloride
CID 119747867
(2,6-difluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119756702
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
(4-hydroxyphenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone
CID 119730652
(3,5-dimethoxyphenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119710205
[4-(2,6-dimethoxybenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 108544554
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone
CID 119888933
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone;hydrochloride
CID 119710223
1-[4-(4-methoxypiperidine-4-carbonyl)-1,4-diazepan-1-yl]-3-phenylpropan-1-one
CID 119754770
1,4-diazepan-1-yl-(4-methoxypiperidin-4-yl)methanone
CID 113265250

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone (CID 119710592) is (3-fluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone is COC1(C(=O)N2CCCN(C(=O)c3cccc(F)c3)CC2)CCNCC1.
What is the InChIKey of (3-fluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone?
The InChIKey is KUBWFAODSXIHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O3/c1-26-19(6-8-21-9-7-19)18(25)23-11-3-10-22(12-13-23)17(24)15-4-2-5-16(20)14-15/h2,4-5,14,21H,3,6-13H2,1H3.
What are the key properties of (3-fluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone?
(3-fluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone has a molecular weight of 363.43 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 119710592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).