1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-4-carboxamide

C17H25N5O2 — CID 121118396

IUPAC1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-4-carboxamide
SMILESCc1ccc(N2CCCC(C(=O)N3CCC(C(N)=O)CC3)C2)nn1
InChIInChI=1S/C17H25N5O2/c1-12-4-5-15(20-19-12)22-8-2-3-14(11-22)17(24)21-9-6-13(7-10-21)16(18)23/h4-5,13-14H,2-3,6-11H2,1H3,(H2,18,23)
InChIKeyFJCULPUUCVMVHC-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.73
Rot. Bonds3

About 1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-4-carboxamide

1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-4-carboxamide (PubChem CID 121118396) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-4-carboxamide
PubChem CID121118396
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-4-carboxamide
SMILESCc1ccc(N2CCCC(C(=O)N3CCC(C(N)=O)CC3)C2)nn1
InChIInChI=1S/C17H25N5O2/c1-12-4-5-15(20-19-12)22-8-2-3-14(11-22)17(24)21-9-6-13(7-10-21)16(18)23/h4-5,13-14H,2-3,6-11H2,1H3,(H2,18,23)
InChIKeyFJCULPUUCVMVHC-UHFFFAOYSA-N
XLogP0.73
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-hydroxypiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone
CID 121118558
(4-benzylpiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone
CID 121118392
ethyl 1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-3-carboxylate
CID 121118394
methyl 1-(6-methylpyridazin-3-yl)piperidine-3-carboxylate
CID 116972483
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone
CID 121118403
ethyl 1-[1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-4-carboxylate
CID 53038525
[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone
CID 121118547
[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 121118686
[(3R)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 93055749
[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 121118531
cyclopropyl-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone
CID 110727399
[(3R)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 96557217

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-4-carboxamide (CID 121118396) is 1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-4-carboxamide is Cc1ccc(N2CCCC(C(=O)N3CCC(C(N)=O)CC3)C2)nn1.
What is the InChIKey of 1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-4-carboxamide?
The InChIKey is FJCULPUUCVMVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-12-4-5-15(20-19-12)22-8-2-3-14(11-22)17(24)21-9-6-13(7-10-21)16(18)23/h4-5,13-14H,2-3,6-11H2,1H3,(H2,18,23).
What are the key properties of 1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-4-carboxamide?
1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-4-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 121118396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).