N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]acetamide

C19H22N4O3 — CID 134801644

IUPACN-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]acetamide
SMILESCOc1ccc(-c2ccc(C(=O)N3CCC(NC(C)=O)CC3)cc2)nn1
InChIInChI=1S/C19H22N4O3/c1-13(24)20-16-9-11-23(12-10-16)19(25)15-5-3-14(4-6-15)17-7-8-18(26-2)22-21-17/h3-8,16H,9-12H2,1-2H3,(H,20,24)
InChIKeyWHYFBCNLNVPVDE-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.89
Rot. Bonds4

About N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]acetamide

N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]acetamide (PubChem CID 134801644) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]acetamide
PubChem CID134801644
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]acetamide
SMILESCOc1ccc(-c2ccc(C(=O)N3CCC(NC(C)=O)CC3)cc2)nn1
InChIInChI=1S/C19H22N4O3/c1-13(24)20-16-9-11-23(12-10-16)19(25)15-5-3-14(4-6-15)17-7-8-18(26-2)22-21-17/h3-8,16H,9-12H2,1-2H3,(H,20,24)
InChIKeyWHYFBCNLNVPVDE-UHFFFAOYSA-N
XLogP1.89
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[4-(6-methoxypyridazin-3-yl)benzoyl]piperazin-1-yl]-phenylmethanone
CID 134801691
[4-(6-methoxypyridazin-3-yl)phenyl]-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 134802267
N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide
CID 134803358
N-[1-(4-iodobenzoyl)piperidin-4-yl]acetamide
CID 49348956
N-[1-(4-pyrimidin-5-ylbenzoyl)piperidin-4-yl]acetamide
CID 134803759
3-chloro-N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide
CID 134800906
(3S)-1-[4-(6-methoxypyridazin-3-yl)benzoyl]piperidine-3-carboxamide
CID 126446549
N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
CID 49348928
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-(6-methoxypyridazin-3-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 119072911

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]acetamide (CID 134801644) is N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]acetamide is COc1ccc(-c2ccc(C(=O)N3CCC(NC(C)=O)CC3)cc2)nn1.
What is the InChIKey of N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]acetamide?
The InChIKey is WHYFBCNLNVPVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-13(24)20-16-9-11-23(12-10-16)19(25)15-5-3-14(4-6-15)17-7-8-18(26-2)22-21-17/h3-8,16H,9-12H2,1-2H3,(H,20,24).
What are the key properties of N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]acetamide?
N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]acetamide has a molecular weight of 354.41 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 134801644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).