2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-4-one

C20H23FN4O3 — CID 53165295

IUPAC2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-4-one
SMILESO=C1NCCCn2nc(C3CCN(C(=O)COc4ccc(F)cc4)CC3)cc21
InChIInChI=1S/C20H23FN4O3/c21-15-2-4-16(5-3-15)28-13-19(26)24-10-6-14(7-11-24)17-12-18-20(27)22-8-1-9-25(18)23-17/h2-5,12,14H,1,6-11,13H2,(H,22,27)
InChIKeyKQXVYIVZTLRROY-UHFFFAOYSA-N
MW386.43 g/mol
LogP1.94
Rot. Bonds4

About 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-4-one

2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-4-one (PubChem CID 53165295) has the molecular formula C20H23FN4O3 and a molecular weight of 386.43 g/mol. Its IUPAC name is 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-4-one.

Molecular Properties

Compound Name2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-4-one
PubChem CID53165295
Molecular FormulaC20H23FN4O3
Molecular Weight386.43 g/mol
Exact Mass386.18
IUPAC Name2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-4-one
SMILESO=C1NCCCn2nc(C3CCN(C(=O)COc4ccc(F)cc4)CC3)cc21
InChIInChI=1S/C20H23FN4O3/c21-15-2-4-16(5-3-15)28-13-19(26)24-10-6-14(7-11-24)17-12-18-20(27)22-8-1-9-25(18)23-17/h2-5,12,14H,1,6-11,13H2,(H,22,27)
InChIKeyKQXVYIVZTLRROY-UHFFFAOYSA-N
XLogP1.94
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 154828949
1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 90495178
(6R,11R)-8-[2-(4-fluorophenoxy)acetyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164691057
2-(4-fluorophenoxy)-1-[4-(pyridin-4-ylmethyl)piperidin-1-yl]ethanone
CID 110102862
2-(4-fluorophenoxy)-1-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone
CID 125021789
(3S)-3-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]azepan-2-one
CID 95778162
2-(4-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119559642
1-[4-[6-amino-5-(morpholine-4-carbonyl)-2-pyridinyl]piperidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 110085308
2-(4-fluorophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 66291676
6-[1-[2-(4-fluorophenoxy)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115179
1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 121022722
2-(4-fluorophenoxy)-1-[4-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 53150393

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-4-one?
The IUPAC name of 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-4-one (CID 53165295) is 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-4-one.
What is the SMILES notation for 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-4-one?
The canonical SMILES for 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-4-one is O=C1NCCCn2nc(C3CCN(C(=O)COc4ccc(F)cc4)CC3)cc21.
What is the InChIKey of 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-4-one?
The InChIKey is KQXVYIVZTLRROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O3/c21-15-2-4-16(5-3-15)28-13-19(26)24-10-6-14(7-11-24)17-12-18-20(27)22-8-1-9-25(18)23-17/h2-5,12,14H,1,6-11,13H2,(H,22,27).
What are the key properties of 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-4-one?
2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-4-one has a molecular weight of 386.43 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-4-one is sourced from PubChem (CID 53165295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).