1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidine-4-carbonitrile

C18H18N4O2 — CID 134803644

IUPAC1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidine-4-carbonitrile
SMILESCOc1ccc(-c2cccc(C(=O)N3CCC(C#N)CC3)c2)nn1
InChIInChI=1S/C18H18N4O2/c1-24-17-6-5-16(20-21-17)14-3-2-4-15(11-14)18(23)22-9-7-13(12-19)8-10-22/h2-6,11,13H,7-10H2,1H3
InChIKeyCFTIIWUMTCJKKG-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.53
Rot. Bonds3

About 1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidine-4-carbonitrile

1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidine-4-carbonitrile (PubChem CID 134803644) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidine-4-carbonitrile
PubChem CID134803644
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidine-4-carbonitrile
SMILESCOc1ccc(-c2cccc(C(=O)N3CCC(C#N)CC3)c2)nn1
InChIInChI=1S/C18H18N4O2/c1-24-17-6-5-16(20-21-17)14-3-2-4-15(11-14)18(23)22-9-7-13(12-19)8-10-22/h2-6,11,13H,7-10H2,1H3
InChIKeyCFTIIWUMTCJKKG-UHFFFAOYSA-N
XLogP2.53
TPSA79.11 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-chloro-N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide
CID 134800868
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]-2-methylbenzamide
CID 134801985
(4-benzylpiperazin-1-yl)-[3-(6-methoxypyridazin-3-yl)phenyl]methanone
CID 134803605
[3-[6-(4-fluorophenoxy)pyridazin-3-yl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 46387102
[4-[4-(6-methoxypyridazin-3-yl)benzoyl]piperazin-1-yl]-phenylmethanone
CID 134801691
1-(3-chlorobenzoyl)piperidine-4-carbonitrile
CID 39351559
CID 134801234
CID 134801234
CID 134803813
CID 134803813
N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]acetamide
CID 134801644

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidine-4-carbonitrile?
The IUPAC name of 1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidine-4-carbonitrile (CID 134803644) is 1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidine-4-carbonitrile is COc1ccc(-c2cccc(C(=O)N3CCC(C#N)CC3)c2)nn1.
What is the InChIKey of 1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidine-4-carbonitrile?
The InChIKey is CFTIIWUMTCJKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-24-17-6-5-16(20-21-17)14-3-2-4-15(11-14)18(23)22-9-7-13(12-19)8-10-22/h2-6,11,13H,7-10H2,1H3.
What are the key properties of 1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidine-4-carbonitrile?
1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidine-4-carbonitrile has a molecular weight of 322.37 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidine-4-carbonitrile is sourced from PubChem (CID 134803644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).