[4-(3-chloro-2-methoxyphenyl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone

C22H23ClN2O4 — CID 118621876

IUPAC[4-(3-chloro-2-methoxyphenyl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
SMILESCOc1c(Cl)cccc1-c1ccc(C(=O)N2CCN(C(=O)C3(O)CC3)CC2)cc1
InChIInChI=1S/C22H23ClN2O4/c1-29-19-17(3-2-4-18(19)23)15-5-7-16(8-6-15)20(26)24-11-13-25(14-12-24)21(27)22(28)9-10-22/h2-8,28H,9-14H2,1H3
InChIKeyXYZMTQKDWODMDP-UHFFFAOYSA-N
MW414.89 g/mol
LogP2.82
Rot. Bonds4

About [4-(3-chloro-2-methoxyphenyl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone

[4-(3-chloro-2-methoxyphenyl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone (PubChem CID 118621876) has the molecular formula C22H23ClN2O4 and a molecular weight of 414.89 g/mol. Its IUPAC name is [4-(3-chloro-2-methoxyphenyl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(3-chloro-2-methoxyphenyl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
PubChem CID118621876
Molecular FormulaC22H23ClN2O4
Molecular Weight414.89 g/mol
Exact Mass414.13
IUPAC Name[4-(3-chloro-2-methoxyphenyl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
SMILESCOc1c(Cl)cccc1-c1ccc(C(=O)N2CCN(C(=O)C3(O)CC3)CC2)cc1
InChIInChI=1S/C22H23ClN2O4/c1-29-19-17(3-2-4-18(19)23)15-5-7-16(8-6-15)20(26)24-11-13-25(14-12-24)21(27)22(28)9-10-22/h2-8,28H,9-14H2,1H3
InChIKeyXYZMTQKDWODMDP-UHFFFAOYSA-N
XLogP2.82
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-fluoro-3-methoxyphenyl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 86272213
[4-(2-fluoro-3-hydroxyphenyl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 139377478
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(1H-indol-4-yl)phenyl]methanone
CID 118621539
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 86275791
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(3-methyl-3H-inden-4-yl)phenyl]methanone
CID 146199137
[4-[2-fluoro-3-(trifluoromethoxy)phenyl]phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 86274127
(3-chloro-4-naphthalen-2-ylphenyl)-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 134273918
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(3-methyl-2,3-dihydro-1H-indazol-4-yl)phenyl]methanone
CID 139452191
[4-(1-hydroxycyclopentanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 86275794
[4-(4-chloro-2-fluorophenyl)phenyl]-[4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]methanone
CID 118621704
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-phenoxyphenyl)methanone
CID 86275091
[4-[4-(2-aminocyclohepta-1,4,6-trien-1-yl)phenyl]phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 139377598

Frequently Asked Questions

What is the IUPAC name of [4-(3-chloro-2-methoxyphenyl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(3-chloro-2-methoxyphenyl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone (CID 118621876) is [4-(3-chloro-2-methoxyphenyl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(3-chloro-2-methoxyphenyl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(3-chloro-2-methoxyphenyl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone is COc1c(Cl)cccc1-c1ccc(C(=O)N2CCN(C(=O)C3(O)CC3)CC2)cc1.
What is the InChIKey of [4-(3-chloro-2-methoxyphenyl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone?
The InChIKey is XYZMTQKDWODMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O4/c1-29-19-17(3-2-4-18(19)23)15-5-7-16(8-6-15)20(26)24-11-13-25(14-12-24)21(27)22(28)9-10-22/h2-8,28H,9-14H2,1H3.
What are the key properties of [4-(3-chloro-2-methoxyphenyl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone?
[4-(3-chloro-2-methoxyphenyl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone has a molecular weight of 414.89 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloro-2-methoxyphenyl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 118621876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).