2-(2-methoxyethyl)-6-[(3S)-3-methylpiperidine-1-carbonyl]pyridazin-3-one

C14H21N3O3 — CID 94179531

IUPAC2-(2-methoxyethyl)-6-[(3S)-3-methylpiperidine-1-carbonyl]pyridazin-3-one
SMILESCOCCn1nc(C(=O)N2CCC[C@H](C)C2)ccc1=O
InChIInChI=1S/C14H21N3O3/c1-11-4-3-7-16(10-11)14(19)12-5-6-13(18)17(15-12)8-9-20-2/h5-6,11H,3-4,7-10H2,1-2H3/t11-/m0/s1
InChIKeyDCUMGZDOMUJUQC-NSHDSACASA-N
MW279.34 g/mol
LogP0.76
Rot. Bonds4

About 2-(2-methoxyethyl)-6-[(3S)-3-methylpiperidine-1-carbonyl]pyridazin-3-one

2-(2-methoxyethyl)-6-[(3S)-3-methylpiperidine-1-carbonyl]pyridazin-3-one (PubChem CID 94179531) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-6-[(3S)-3-methylpiperidine-1-carbonyl]pyridazin-3-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-6-[(3S)-3-methylpiperidine-1-carbonyl]pyridazin-3-one
PubChem CID94179531
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-(2-methoxyethyl)-6-[(3S)-3-methylpiperidine-1-carbonyl]pyridazin-3-one
SMILESCOCCn1nc(C(=O)N2CCC[C@H](C)C2)ccc1=O
InChIInChI=1S/C14H21N3O3/c1-11-4-3-7-16(10-11)14(19)12-5-6-13(18)17(15-12)8-9-20-2/h5-6,11H,3-4,7-10H2,1-2H3/t11-/m0/s1
InChIKeyDCUMGZDOMUJUQC-NSHDSACASA-N
XLogP0.76
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one
CID 106672046
6-[(2R)-2-ethylmorpholine-4-carbonyl]-2-(2-methoxyethyl)pyridazin-3-one
CID 94014405
6-[(2S)-2-ethylmorpholine-4-carbonyl]-2-(2-methoxyethyl)pyridazin-3-one
CID 94014406
2-(2-methoxyethyl)-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one
CID 47020029
6-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazine-1-carbonyl]-2-propylpyridazin-3-one
CID 97028133
2-(2-methoxyethyl)-6-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyridazin-3-one
CID 56807823
1-(6-oxo-1-propylpyridazine-3-carbonyl)piperidine-3-carboxamide
CID 78784806
N,N-diethyl-4-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]piperazine-1-sulfonamide
CID 24630476
2-(2-methoxyethyl)-6-[(2S)-2-(3-methylphenyl)pyrrolidine-1-carbonyl]pyridazin-3-one
CID 95579844
6-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-2-(2-methoxyethyl)pyridazin-3-one
CID 30035791
2-(2-methoxyethyl)-6-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]pyridazin-3-one
CID 46536603
ethyl 1-(1-ethyl-6-oxopyridazine-3-carbonyl)piperidine-3-carboxylate
CID 121066862

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-6-[(3S)-3-methylpiperidine-1-carbonyl]pyridazin-3-one?
The IUPAC name of 2-(2-methoxyethyl)-6-[(3S)-3-methylpiperidine-1-carbonyl]pyridazin-3-one (CID 94179531) is 2-(2-methoxyethyl)-6-[(3S)-3-methylpiperidine-1-carbonyl]pyridazin-3-one.
What is the SMILES notation for 2-(2-methoxyethyl)-6-[(3S)-3-methylpiperidine-1-carbonyl]pyridazin-3-one?
The canonical SMILES for 2-(2-methoxyethyl)-6-[(3S)-3-methylpiperidine-1-carbonyl]pyridazin-3-one is COCCn1nc(C(=O)N2CCC[C@H](C)C2)ccc1=O.
What is the InChIKey of 2-(2-methoxyethyl)-6-[(3S)-3-methylpiperidine-1-carbonyl]pyridazin-3-one?
The InChIKey is DCUMGZDOMUJUQC-NSHDSACASA-N. The full InChI is InChI=1S/C14H21N3O3/c1-11-4-3-7-16(10-11)14(19)12-5-6-13(18)17(15-12)8-9-20-2/h5-6,11H,3-4,7-10H2,1-2H3/t11-/m0/s1.
What are the key properties of 2-(2-methoxyethyl)-6-[(3S)-3-methylpiperidine-1-carbonyl]pyridazin-3-one?
2-(2-methoxyethyl)-6-[(3S)-3-methylpiperidine-1-carbonyl]pyridazin-3-one has a molecular weight of 279.34 g/mol, XLogP of 0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-6-[(3S)-3-methylpiperidine-1-carbonyl]pyridazin-3-one is sourced from PubChem (CID 94179531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).