1-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]pyridin-2-one

C19H22FN3O2 — CID 70767330

IUPAC1-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1ccccc1=O)N1CCCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C19H22FN3O2/c20-17-7-5-16(6-8-17)14-21-9-3-11-22(13-12-21)19(25)15-23-10-2-1-4-18(23)24/h1-2,4-8,10H,3,9,11-15H2
InChIKeyHHINOUFWIBYHSU-UHFFFAOYSA-N
MW343.40 g/mol
LogP1.72
Rot. Bonds4

About 1-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]pyridin-2-one

1-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]pyridin-2-one (PubChem CID 70767330) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 1-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]pyridin-2-one
PubChem CID70767330
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name1-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1ccccc1=O)N1CCCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C19H22FN3O2/c20-17-7-5-16(6-8-17)14-21-9-3-11-22(13-12-21)19(25)15-23-10-2-1-4-18(23)24/h1-2,4-8,10H,3,9,11-15H2
InChIKeyHHINOUFWIBYHSU-UHFFFAOYSA-N
XLogP1.72
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]ethyl]pyridin-2-one
CID 78840368
3-(4-fluorophenyl)-1-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propan-1-one
CID 134046846
1-[2-oxo-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]pyridin-2-one
CID 86977859
1-(4-benzylpiperazin-1-yl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]ethanone
CID 87015706
1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 21241521
4-amino-1-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]butan-1-one
CID 119838924
3-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 43044254
1-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]pyridin-2-one
CID 78801508
1-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 9397792
3-(4-ethylphenyl)-1-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propan-1-one
CID 134010025
1-[3-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-oxopropyl]pyridin-2-one
CID 70756905
1-[[5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one
CID 134024817

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]pyridin-2-one?
The IUPAC name of 1-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]pyridin-2-one (CID 70767330) is 1-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]pyridin-2-one is O=C(Cn1ccccc1=O)N1CCCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]pyridin-2-one?
The InChIKey is HHINOUFWIBYHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c20-17-7-5-16(6-8-17)14-21-9-3-11-22(13-12-21)19(25)15-23-10-2-1-4-18(23)24/h1-2,4-8,10H,3,9,11-15H2.
What are the key properties of 1-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]pyridin-2-one?
1-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]pyridin-2-one has a molecular weight of 343.40 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 70767330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).