[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]methanone

C23H26Cl2N4O3 — CID 55876984

IUPAC[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]methanone
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N2CCN(c3cccc(Cl)n3)CC2)CC1
InChIInChI=1S/C23H26Cl2N4O3/c1-32-19-6-5-17(24)15-18(19)23(31)28-9-7-16(8-10-28)22(30)29-13-11-27(12-14-29)21-4-2-3-20(25)26-21/h2-6,15-16H,7-14H2,1H3
InChIKeyJTWPZWBFCZPVAD-UHFFFAOYSA-N
MW477.39 g/mol
LogP3.60
Rot. Bonds4

About [1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]methanone

[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]methanone (PubChem CID 55876984) has the molecular formula C23H26Cl2N4O3 and a molecular weight of 477.39 g/mol. Its IUPAC name is [1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]methanone
PubChem CID55876984
Molecular FormulaC23H26Cl2N4O3
Molecular Weight477.39 g/mol
Exact Mass476.14
IUPAC Name[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]methanone
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N2CCN(c3cccc(Cl)n3)CC2)CC1
InChIInChI=1S/C23H26Cl2N4O3/c1-32-19-6-5-17(24)15-18(19)23(31)28-9-7-16(8-10-28)22(30)29-13-11-27(12-14-29)21-4-2-3-20(25)26-21/h2-6,15-16H,7-14H2,1H3
InChIKeyJTWPZWBFCZPVAD-UHFFFAOYSA-N
XLogP3.60
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.39
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-cyclobutylmethanone
CID 56511112
[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 55918037
[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone
CID 134100572
[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 56551226
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 2473565
[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methanone
CID 55876732
(5-chloro-2-methoxyphenyl)-[4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 50748492
2-[4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 55622870
1-(5-chloro-2-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 55151545
[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 55624001
[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-(2-pyridin-4-ylazepan-1-yl)methanone
CID 55764495
1-(5-chloro-2-methoxybenzoyl)-N-cyclopropyl-N-methylpiperidine-4-carboxamide
CID 55627034

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]methanone (CID 55876984) is [1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]methanone is COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N2CCN(c3cccc(Cl)n3)CC2)CC1.
What is the InChIKey of [1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is JTWPZWBFCZPVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N4O3/c1-32-19-6-5-17(24)15-18(19)23(31)28-9-7-16(8-10-28)22(30)29-13-11-27(12-14-29)21-4-2-3-20(25)26-21/h2-6,15-16H,7-14H2,1H3.
What are the key properties of [1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]methanone?
[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 477.39 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 55876984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).