(6-chloro-3-pyridinyl)-[4-[3-(3-methoxyphenyl)benzoyl]piperazin-1-yl]methanone

C24H22ClN3O3 — CID 134803037

IUPAC(6-chloro-3-pyridinyl)-[4-[3-(3-methoxyphenyl)benzoyl]piperazin-1-yl]methanone
SMILESCOc1cccc(-c2cccc(C(=O)N3CCN(C(=O)c4ccc(Cl)nc4)CC3)c2)c1
InChIInChI=1S/C24H22ClN3O3/c1-31-21-7-3-5-18(15-21)17-4-2-6-19(14-17)23(29)27-10-12-28(13-11-27)24(30)20-8-9-22(25)26-16-20/h2-9,14-16H,10-13H2,1H3
InChIKeyLWYSZGJXVMJZLG-UHFFFAOYSA-N
MW435.91 g/mol
LogP4.01
Rot. Bonds4

About (6-chloro-3-pyridinyl)-[4-[3-(3-methoxyphenyl)benzoyl]piperazin-1-yl]methanone

(6-chloro-3-pyridinyl)-[4-[3-(3-methoxyphenyl)benzoyl]piperazin-1-yl]methanone (PubChem CID 134803037) has the molecular formula C24H22ClN3O3 and a molecular weight of 435.91 g/mol. Its IUPAC name is (6-chloro-3-pyridinyl)-[4-[3-(3-methoxyphenyl)benzoyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloro-3-pyridinyl)-[4-[3-(3-methoxyphenyl)benzoyl]piperazin-1-yl]methanone
PubChem CID134803037
Molecular FormulaC24H22ClN3O3
Molecular Weight435.91 g/mol
Exact Mass435.13
IUPAC Name(6-chloro-3-pyridinyl)-[4-[3-(3-methoxyphenyl)benzoyl]piperazin-1-yl]methanone
SMILESCOc1cccc(-c2cccc(C(=O)N3CCN(C(=O)c4ccc(Cl)nc4)CC3)c2)c1
InChIInChI=1S/C24H22ClN3O3/c1-31-21-7-3-5-18(15-21)17-4-2-6-19(14-17)23(29)27-10-12-28(13-11-27)24(30)20-8-9-22(25)26-16-20/h2-9,14-16H,10-13H2,1H3
InChIKeyLWYSZGJXVMJZLG-UHFFFAOYSA-N
XLogP4.01
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.91
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[3-(3-methoxyphenyl)benzoyl]piperazine-1-carboxylate
CID 134801650
(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 712550
[4-(3,4-dichlorobenzoyl)-1,4-diazepan-1-yl]-(3-methoxyphenyl)methanone
CID 108543910
(4-chlorophenyl)-[4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone
CID 20910980
(6-chloro-3-pyridinyl)-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]methanone
CID 134062230
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 110365049
methyl 4-[[2-[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethoxy]methyl]benzoate
CID 46091196
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-methoxyphenyl)methanone
CID 26869413
[6-(3-methoxyphenyl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 56864623
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-methoxyphenyl)methanone
CID 26870111

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-pyridinyl)-[4-[3-(3-methoxyphenyl)benzoyl]piperazin-1-yl]methanone?
The IUPAC name of (6-chloro-3-pyridinyl)-[4-[3-(3-methoxyphenyl)benzoyl]piperazin-1-yl]methanone (CID 134803037) is (6-chloro-3-pyridinyl)-[4-[3-(3-methoxyphenyl)benzoyl]piperazin-1-yl]methanone.
What is the SMILES notation for (6-chloro-3-pyridinyl)-[4-[3-(3-methoxyphenyl)benzoyl]piperazin-1-yl]methanone?
The canonical SMILES for (6-chloro-3-pyridinyl)-[4-[3-(3-methoxyphenyl)benzoyl]piperazin-1-yl]methanone is COc1cccc(-c2cccc(C(=O)N3CCN(C(=O)c4ccc(Cl)nc4)CC3)c2)c1.
What is the InChIKey of (6-chloro-3-pyridinyl)-[4-[3-(3-methoxyphenyl)benzoyl]piperazin-1-yl]methanone?
The InChIKey is LWYSZGJXVMJZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O3/c1-31-21-7-3-5-18(15-21)17-4-2-6-19(14-17)23(29)27-10-12-28(13-11-27)24(30)20-8-9-22(25)26-16-20/h2-9,14-16H,10-13H2,1H3.
What are the key properties of (6-chloro-3-pyridinyl)-[4-[3-(3-methoxyphenyl)benzoyl]piperazin-1-yl]methanone?
(6-chloro-3-pyridinyl)-[4-[3-(3-methoxyphenyl)benzoyl]piperazin-1-yl]methanone has a molecular weight of 435.91 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-pyridinyl)-[4-[3-(3-methoxyphenyl)benzoyl]piperazin-1-yl]methanone is sourced from PubChem (CID 134803037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).