2-chloro-N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide

C24H23ClN4O3 — CID 134800868

IUPAC2-chloro-N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide
SMILESCOc1ccc(-c2cccc(C(=O)N3CCC(NC(=O)c4ccccc4Cl)CC3)c2)nn1
InChIInChI=1S/C24H23ClN4O3/c1-32-22-10-9-21(27-28-22)16-5-4-6-17(15-16)24(31)29-13-11-18(12-14-29)26-23(30)19-7-2-3-8-20(19)25/h2-10,15,18H,11-14H2,1H3,(H,26,30)
InChIKeyBRUFPAMZILSJPC-UHFFFAOYSA-N
MW450.93 g/mol
LogP3.84
Rot. Bonds5

About 2-chloro-N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide

2-chloro-N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide (PubChem CID 134800868) has the molecular formula C24H23ClN4O3 and a molecular weight of 450.93 g/mol. Its IUPAC name is 2-chloro-N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide
PubChem CID134800868
Molecular FormulaC24H23ClN4O3
Molecular Weight450.93 g/mol
Exact Mass450.15
IUPAC Name2-chloro-N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide
SMILESCOc1ccc(-c2cccc(C(=O)N3CCC(NC(=O)c4ccccc4Cl)CC3)c2)nn1
InChIInChI=1S/C24H23ClN4O3/c1-32-22-10-9-21(27-28-22)16-5-4-6-17(15-16)24(31)29-13-11-18(12-14-29)26-23(30)19-7-2-3-8-20(19)25/h2-10,15,18H,11-14H2,1H3,(H,26,30)
InChIKeyBRUFPAMZILSJPC-UHFFFAOYSA-N
XLogP3.84
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.93
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-2-methylbenzamide
CID 134801985
2-methoxy-N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide
CID 134803210
N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide
CID 134803358
3-chloro-N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide
CID 134800906
1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidine-4-carbonitrile
CID 134803644
2-chloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
CID 108550857
2-chloro-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108550779
N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]acetamide
CID 134801644
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-chlorobenzamide
CID 108550833
N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554674
(4-benzylpiperazin-1-yl)-[3-(6-methoxypyridazin-3-yl)phenyl]methanone
CID 134803605
N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chlorobenzamide
CID 108550788

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide (CID 134800868) is 2-chloro-N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide is COc1ccc(-c2cccc(C(=O)N3CCC(NC(=O)c4ccccc4Cl)CC3)c2)nn1.
What is the InChIKey of 2-chloro-N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide?
The InChIKey is BRUFPAMZILSJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O3/c1-32-22-10-9-21(27-28-22)16-5-4-6-17(15-16)24(31)29-13-11-18(12-14-29)26-23(30)19-7-2-3-8-20(19)25/h2-10,15,18H,11-14H2,1H3,(H,26,30).
What are the key properties of 2-chloro-N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide?
2-chloro-N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide has a molecular weight of 450.93 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 134800868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).