6-[2-(1H-imidazol-2-yl)piperidine-1-carbonyl]-2-propylpyridazin-3-one

C16H21N5O2 — CID 56822307

IUPAC6-[2-(1H-imidazol-2-yl)piperidine-1-carbonyl]-2-propylpyridazin-3-one
SMILESCCCn1nc(C(=O)N2CCCCC2c2ncc[nH]2)ccc1=O
InChIInChI=1S/C16H21N5O2/c1-2-10-21-14(22)7-6-12(19-21)16(23)20-11-4-3-5-13(20)15-17-8-9-18-15/h6-9,13H,2-5,10-11H2,1H3,(H,17,18)
InChIKeyMOCSDYBNRMFNQE-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.74
Rot. Bonds4

About 6-[2-(1H-imidazol-2-yl)piperidine-1-carbonyl]-2-propylpyridazin-3-one

6-[2-(1H-imidazol-2-yl)piperidine-1-carbonyl]-2-propylpyridazin-3-one (PubChem CID 56822307) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 6-[2-(1H-imidazol-2-yl)piperidine-1-carbonyl]-2-propylpyridazin-3-one.

Molecular Properties

Compound Name6-[2-(1H-imidazol-2-yl)piperidine-1-carbonyl]-2-propylpyridazin-3-one
PubChem CID56822307
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name6-[2-(1H-imidazol-2-yl)piperidine-1-carbonyl]-2-propylpyridazin-3-one
SMILESCCCn1nc(C(=O)N2CCCCC2c2ncc[nH]2)ccc1=O
InChIInChI=1S/C16H21N5O2/c1-2-10-21-14(22)7-6-12(19-21)16(23)20-11-4-3-5-13(20)15-17-8-9-18-15/h6-9,13H,2-5,10-11H2,1H3,(H,17,18)
InChIKeyMOCSDYBNRMFNQE-UHFFFAOYSA-N
XLogP1.74
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-2-propylpyridazin-3-one
CID 47014760
6-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-propylpyridazin-3-one
CID 95739273
6-[2-(2-hydroxypropan-2-yl)pyrrolidine-1-carbonyl]-2-propylpyridazin-3-one
CID 75431167
2-butyl-6-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyridazin-3-one
CID 79030504
2-ethyl-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one
CID 121066841
(5-cyclopropyl-1,2-oxazol-3-yl)-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 124860819
2-butyl-6-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyridazin-3-one
CID 94002531
2-(2-methoxyethyl)-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one
CID 47020029
(2R)-N-[(2R)-1-ethylsulfonylpropan-2-yl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 124560581
N-cyclooctyl-6-oxo-1-propylpyridazine-3-carboxamide
CID 39724166
2-butyl-6-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]pyridazin-3-one
CID 56816863
1-(6-oxo-1-propylpyridazine-3-carbonyl)piperidine-3-carboxamide
CID 78784806

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1H-imidazol-2-yl)piperidine-1-carbonyl]-2-propylpyridazin-3-one?
The IUPAC name of 6-[2-(1H-imidazol-2-yl)piperidine-1-carbonyl]-2-propylpyridazin-3-one (CID 56822307) is 6-[2-(1H-imidazol-2-yl)piperidine-1-carbonyl]-2-propylpyridazin-3-one.
What is the SMILES notation for 6-[2-(1H-imidazol-2-yl)piperidine-1-carbonyl]-2-propylpyridazin-3-one?
The canonical SMILES for 6-[2-(1H-imidazol-2-yl)piperidine-1-carbonyl]-2-propylpyridazin-3-one is CCCn1nc(C(=O)N2CCCCC2c2ncc[nH]2)ccc1=O.
What is the InChIKey of 6-[2-(1H-imidazol-2-yl)piperidine-1-carbonyl]-2-propylpyridazin-3-one?
The InChIKey is MOCSDYBNRMFNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-2-10-21-14(22)7-6-12(19-21)16(23)20-11-4-3-5-13(20)15-17-8-9-18-15/h6-9,13H,2-5,10-11H2,1H3,(H,17,18).
What are the key properties of 6-[2-(1H-imidazol-2-yl)piperidine-1-carbonyl]-2-propylpyridazin-3-one?
6-[2-(1H-imidazol-2-yl)piperidine-1-carbonyl]-2-propylpyridazin-3-one has a molecular weight of 315.38 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1H-imidazol-2-yl)piperidine-1-carbonyl]-2-propylpyridazin-3-one is sourced from PubChem (CID 56822307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).