[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,5-difluorophenyl]-(3-fluoro-4-methoxyphenyl)methanone;hydrochloride

C22H24ClF3N2O2 — CID 68860036

IUPAC[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,5-difluorophenyl]-(3-fluoro-4-methoxyphenyl)methanone;hydrochloride
SMILESCOc1ccc(C(=O)c2cc(F)c(N3CCN(CC4CC4)CC3)c(F)c2)cc1F.Cl
InChIInChI=1S/C22H23F3N2O2.ClH/c1-29-20-5-4-15(10-17(20)23)22(28)16-11-18(24)21(19(25)12-16)27-8-6-26(7-9-27)13-14-2-3-14;/h4-5,10-12,14H,2-3,6-9,13H2,1H3;1H
InChIKeyBEIKZPQMDBQEFR-UHFFFAOYSA-N
MW440.89 g/mol
LogP4.30
Rot. Bonds6

About [4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,5-difluorophenyl]-(3-fluoro-4-methoxyphenyl)methanone;hydrochloride

[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,5-difluorophenyl]-(3-fluoro-4-methoxyphenyl)methanone;hydrochloride (PubChem CID 68860036) has the molecular formula C22H24ClF3N2O2 and a molecular weight of 440.89 g/mol. Its IUPAC name is [4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,5-difluorophenyl]-(3-fluoro-4-methoxyphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,5-difluorophenyl]-(3-fluoro-4-methoxyphenyl)methanone;hydrochloride
PubChem CID68860036
Molecular FormulaC22H24ClF3N2O2
Molecular Weight440.89 g/mol
Exact Mass440.15
IUPAC Name[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,5-difluorophenyl]-(3-fluoro-4-methoxyphenyl)methanone;hydrochloride
SMILESCOc1ccc(C(=O)c2cc(F)c(N3CCN(CC4CC4)CC3)c(F)c2)cc1F.Cl
InChIInChI=1S/C22H23F3N2O2.ClH/c1-29-20-5-4-15(10-17(20)23)22(28)16-11-18(24)21(19(25)12-16)27-8-6-26(7-9-27)13-14-2-3-14;/h4-5,10-12,14H,2-3,6-9,13H2,1H3;1H
InChIKeyBEIKZPQMDBQEFR-UHFFFAOYSA-N
XLogP4.30
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.89
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,5-difluorophenyl]-(3-fluoro-4-methoxyphenyl)methanone;hydrochloride 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

(3-bromo-5-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43474017
(3-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 3021160
(3,5-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 24723233
(4-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 2757552
3-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 43474035
[4-(bromomethyl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 80678015
(3-fluoro-4-methoxyphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83044007
1-(3-fluoro-4-methoxyphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 64597987
2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,5-difluorophenyl]ethanamine
CID 63785227
1-(3-fluoro-4-methoxyphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 62023135
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 121197580
(4-fluoro-2,6-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 106876723

Frequently Asked Questions

What is the IUPAC name of [4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,5-difluorophenyl]-(3-fluoro-4-methoxyphenyl)methanone;hydrochloride?
The IUPAC name of [4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,5-difluorophenyl]-(3-fluoro-4-methoxyphenyl)methanone;hydrochloride (CID 68860036) is [4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,5-difluorophenyl]-(3-fluoro-4-methoxyphenyl)methanone;hydrochloride.
What is the SMILES notation for [4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,5-difluorophenyl]-(3-fluoro-4-methoxyphenyl)methanone;hydrochloride?
The canonical SMILES for [4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,5-difluorophenyl]-(3-fluoro-4-methoxyphenyl)methanone;hydrochloride is COc1ccc(C(=O)c2cc(F)c(N3CCN(CC4CC4)CC3)c(F)c2)cc1F.Cl.
What is the InChIKey of [4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,5-difluorophenyl]-(3-fluoro-4-methoxyphenyl)methanone;hydrochloride?
The InChIKey is BEIKZPQMDBQEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O2.ClH/c1-29-20-5-4-15(10-17(20)23)22(28)16-11-18(24)21(19(25)12-16)27-8-6-26(7-9-27)13-14-2-3-14;/h4-5,10-12,14H,2-3,6-9,13H2,1H3;1H.
What are the key properties of [4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,5-difluorophenyl]-(3-fluoro-4-methoxyphenyl)methanone;hydrochloride?
[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,5-difluorophenyl]-(3-fluoro-4-methoxyphenyl)methanone;hydrochloride has a molecular weight of 440.89 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,5-difluorophenyl]-(3-fluoro-4-methoxyphenyl)methanone;hydrochloride is sourced from PubChem (CID 68860036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).