[3-[(2,4-dichlorophenoxy)methyl]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C23H21Cl2N3O2 — CID 1314815

IUPAC[3-[(2,4-dichlorophenoxy)methyl]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cccc(COc2ccc(Cl)cc2Cl)c1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C23H21Cl2N3O2/c24-19-7-8-21(20(25)15-19)30-16-17-4-3-5-18(14-17)23(29)28-12-10-27(11-13-28)22-6-1-2-9-26-22/h1-9,14-15H,10-13,16H2
InChIKeyGIAZQHAECZWGPF-UHFFFAOYSA-N
MW442.35 g/mol
LogP4.93
Rot. Bonds5

About [3-[(2,4-dichlorophenoxy)methyl]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[3-[(2,4-dichlorophenoxy)methyl]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 1314815) has the molecular formula C23H21Cl2N3O2 and a molecular weight of 442.35 g/mol. Its IUPAC name is [3-[(2,4-dichlorophenoxy)methyl]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-[(2,4-dichlorophenoxy)methyl]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID1314815
Molecular FormulaC23H21Cl2N3O2
Molecular Weight442.35 g/mol
Exact Mass441.10
IUPAC Name[3-[(2,4-dichlorophenoxy)methyl]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cccc(COc2ccc(Cl)cc2Cl)c1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C23H21Cl2N3O2/c24-19-7-8-21(20(25)15-19)30-16-17-4-3-5-18(14-17)23(29)28-12-10-27(11-13-28)22-6-1-2-9-26-22/h1-9,14-15H,10-13,16H2
InChIKeyGIAZQHAECZWGPF-UHFFFAOYSA-N
XLogP4.93
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.35
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Ethoxy-phenyl)-(4-pyridin-2-yl-piperazin-1-yl)-methanone
CID 891507
(4-Methoxy-3-(phenylethynyl)phenyl)(4-(pyridin-2-yl)piperazin-1-yl)methanone
CID 53318554
(5-Chloro-2-methoxy-phenyl)-(4-pyridin-2-yl-piperazin-1-yl)-methanone
CID 975496
1-[4-(2,4-Dichlorophenoxy)butanoyl]-4-(2-pyridinyl)piperazine
CID 2961286
3-chloro-N-(5-chloro-2-pyridinyl)-4-ethoxybenzamide
CID 3237354
[2-[(4-Chlorophenyl)methoxy]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 7974889
(4-Methoxy-3-(phenylethynyl)phenyl)(4-(5-methylpyridin-2-yl)piperazin-1-yl)methanone
CID 53326425
4(3H)-Quinazolinone, 2-((2-chlorophenoxy)methyl)-3-(2-pyridinyl)-
CID 63275
1-(5-Chloro-2-pyridinyl)-4-(2,3-dihydro-1-benzofuran-5-ylcarbonyl)piperazine
CID 70773765
[4-[4-(3,5-Dichlorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-(3-methylphenyl)methanone
CID 145959474
N-(5-chloropyridin-2-yl)-4-phenylmethoxybenzamide
CID 875547
(4-Phenoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 3399668

Frequently Asked Questions

What is the IUPAC name of [3-[(2,4-dichlorophenoxy)methyl]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [3-[(2,4-dichlorophenoxy)methyl]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 1314815) is [3-[(2,4-dichlorophenoxy)methyl]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-[(2,4-dichlorophenoxy)methyl]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [3-[(2,4-dichlorophenoxy)methyl]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1cccc(COc2ccc(Cl)cc2Cl)c1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of [3-[(2,4-dichlorophenoxy)methyl]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is GIAZQHAECZWGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N3O2/c24-19-7-8-21(20(25)15-19)30-16-17-4-3-5-18(14-17)23(29)28-12-10-27(11-13-28)22-6-1-2-9-26-22/h1-9,14-15H,10-13,16H2.
What are the key properties of [3-[(2,4-dichlorophenoxy)methyl]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[3-[(2,4-dichlorophenoxy)methyl]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 442.35 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,4-dichlorophenoxy)methyl]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 1314815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).