[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone

C17H15Cl2N3O2 — CID 108536545

IUPAC[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C17H15Cl2N3O2/c18-13-1-2-15(19)14(11-13)17(24)22-9-7-21(8-10-22)16(23)12-3-5-20-6-4-12/h1-6,11H,7-10H2
InChIKeyLYKRAFMKLKQPMR-UHFFFAOYSA-N
MW364.23 g/mol
LogP2.99
Rot. Bonds2

About [4-(2,5-dichlorobenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone

[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone (PubChem CID 108536545) has the molecular formula C17H15Cl2N3O2 and a molecular weight of 364.23 g/mol. Its IUPAC name is [4-(2,5-dichlorobenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
PubChem CID108536545
Molecular FormulaC17H15Cl2N3O2
Molecular Weight364.23 g/mol
Exact Mass363.05
IUPAC Name[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C17H15Cl2N3O2/c18-13-1-2-15(19)14(11-13)17(24)22-9-7-21(8-10-22)16(23)12-3-5-20-6-4-12/h1-6,11H,7-10H2
InChIKeyLYKRAFMKLKQPMR-UHFFFAOYSA-N
XLogP2.99
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-chloro-2-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 86814208
[4-(3-chloro-4-fluorobenzoyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 110808597
[4-(2,5-dichlorobenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 108543875
[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 108536485
[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 108533710
1-(2,5-dichlorobenzoyl)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 55849133
[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone
CID 2050587
[4-(2,5-dichlorobenzoyl)-1,4-diazepan-1-yl]-(4-ethoxyphenyl)methanone
CID 108545969
[4-(2,5-dichlorobenzoyl)-1,4-diazepan-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 108545116
[4-[(4-chloro-2-methylphenyl)methyl]-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 86795937
[4-[(3,4-dichlorophenyl)methyl]piperazin-4-ium-1-yl]-pyridin-4-ylmethanone
CID 7364421
[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-pyridin-4-ylmethanone
CID 3561585

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dichlorobenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-(2,5-dichlorobenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone (CID 108536545) is [4-(2,5-dichlorobenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-(2,5-dichlorobenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-(2,5-dichlorobenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of [4-(2,5-dichlorobenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is LYKRAFMKLKQPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O2/c18-13-1-2-15(19)14(11-13)17(24)22-9-7-21(8-10-22)16(23)12-3-5-20-6-4-12/h1-6,11H,7-10H2.
What are the key properties of [4-(2,5-dichlorobenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone?
[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 364.23 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dichlorobenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 108536545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).