[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone

C24H23Cl2N3O3 — CID 55821680

IUPAC[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCN(c3ncccc3Cl)CC2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C24H23Cl2N3O3/c1-31-22-15-18(6-9-21(22)32-16-17-4-7-19(25)8-5-17)24(30)29-13-11-28(12-14-29)23-20(26)3-2-10-27-23/h2-10,15H,11-14,16H2,1H3
InChIKeyAZYCCXAATDUFRG-UHFFFAOYSA-N
MW472.37 g/mol
LogP4.94
Rot. Bonds6

About [4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone

[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone (PubChem CID 55821680) has the molecular formula C24H23Cl2N3O3 and a molecular weight of 472.37 g/mol. Its IUPAC name is [4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone
PubChem CID55821680
Molecular FormulaC24H23Cl2N3O3
Molecular Weight472.37 g/mol
Exact Mass471.11
IUPAC Name[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCN(c3ncccc3Cl)CC2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C24H23Cl2N3O3/c1-31-22-15-18(6-9-21(22)32-16-17-4-7-19(25)8-5-17)24(30)29-13-11-28(12-14-29)23-20(26)3-2-10-27-23/h2-10,15H,11-14,16H2,1H3
InChIKeyAZYCCXAATDUFRG-UHFFFAOYSA-N
XLogP4.94
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.37
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 43001761
2-[4-[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 55456470
2-[4-[4-[(4-chlorophenyl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 17454779
azepan-1-yl-[1-[4-[(4-chlorophenyl)methoxy]-3-methoxybenzoyl]piperidin-4-yl]methanone
CID 55407568
[4-[(4-chlorophenoxy)methyl]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 9243250
(3-bromo-4-ethoxy-5-methoxyphenyl)-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone
CID 55822321
N'-(2-chlorobenzoyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzohydrazide
CID 35929028
[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 21275342
[3-(aminomethyl)pyrrolidin-1-yl]-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methanone;hydrochloride
CID 119486917
[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone
CID 2119312
[2-(aminomethyl)pyrrolidin-1-yl]-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methanone
CID 119634307
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-pyridin-2-ylbenzamide
CID 43016736

Frequently Asked Questions

What is the IUPAC name of [4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of [4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone (CID 55821680) is [4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone is COc1cc(C(=O)N2CCN(c3ncccc3Cl)CC2)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of [4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is AZYCCXAATDUFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N3O3/c1-31-22-15-18(6-9-21(22)32-16-17-4-7-19(25)8-5-17)24(30)29-13-11-28(12-14-29)23-20(26)3-2-10-27-23/h2-10,15H,11-14,16H2,1H3.
What are the key properties of [4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone?
[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 472.37 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 55821680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).