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

C20H23Cl2N5O — CID 55876732

IUPAC[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2ccc(Cl)cn2)CC1)N1CCN(c2cccc(Cl)n2)CC1
InChIInChI=1S/C20H23Cl2N5O/c21-16-4-5-18(23-14-16)25-8-6-15(7-9-25)20(28)27-12-10-26(11-13-27)19-3-1-2-17(22)24-19/h1-5,14-15H,6-13H2
InChIKeyUYQAWZARTNKAFJ-UHFFFAOYSA-N
MW420.34 g/mol
LogP3.35
Rot. Bonds3

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

[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methanone (PubChem CID 55876732) has the molecular formula C20H23Cl2N5O and a molecular weight of 420.34 g/mol. Its IUPAC name is [4-(6-chloro-2-pyridinyl)piperazin-1-yl]-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methanone
PubChem CID55876732
Molecular FormulaC20H23Cl2N5O
Molecular Weight420.34 g/mol
Exact Mass419.13
IUPAC Name[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2ccc(Cl)cn2)CC1)N1CCN(c2cccc(Cl)n2)CC1
InChIInChI=1S/C20H23Cl2N5O/c21-16-4-5-18(23-14-16)25-8-6-15(7-9-25)20(28)27-12-10-26(11-13-27)19-3-1-2-17(22)24-19/h1-5,14-15H,6-13H2
InChIKeyUYQAWZARTNKAFJ-UHFFFAOYSA-N
XLogP3.35
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.34
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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Related Compounds

[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(4,4-difluorocyclohexyl)methanone
CID 122156291
6-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyridine-2-carboxylic acid
CID 122053320
1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid
CID 16787048
(3S)-1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124703193
(3R)-1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 125148072
[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 166602453
[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]methanone
CID 55876984
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120634302
[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-[(2S)-1-methylpiperidin-2-yl]methanone
CID 95622258
[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methanone
CID 55687589
1-azabicyclo[2.2.2]octan-2-yl-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone
CID 138806991
N-(4-chlorophenyl)-4-(6-chloro-2-pyridinyl)piperazine-1-carboxamide
CID 3787929

Frequently Asked Questions

What is the IUPAC name of [4-(6-chloro-2-pyridinyl)piperazin-1-yl]-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methanone?
The IUPAC name of [4-(6-chloro-2-pyridinyl)piperazin-1-yl]-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methanone (CID 55876732) is [4-(6-chloro-2-pyridinyl)piperazin-1-yl]-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methanone.
What is the SMILES notation for [4-(6-chloro-2-pyridinyl)piperazin-1-yl]-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methanone?
The canonical SMILES for [4-(6-chloro-2-pyridinyl)piperazin-1-yl]-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methanone is O=C(C1CCN(c2ccc(Cl)cn2)CC1)N1CCN(c2cccc(Cl)n2)CC1.
What is the InChIKey of [4-(6-chloro-2-pyridinyl)piperazin-1-yl]-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methanone?
The InChIKey is UYQAWZARTNKAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N5O/c21-16-4-5-18(23-14-16)25-8-6-15(7-9-25)20(28)27-12-10-26(11-13-27)19-3-1-2-17(22)24-19/h1-5,14-15H,6-13H2.
What are the key properties of [4-(6-chloro-2-pyridinyl)piperazin-1-yl]-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methanone?
[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methanone has a molecular weight of 420.34 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-chloro-2-pyridinyl)piperazin-1-yl]-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methanone is sourced from PubChem (CID 55876732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).