[(2S)-2-methylpiperidin-1-yl]-[4-(6-methylpyridazin-3-yl)oxyphenyl]methanone

C18H21N3O2 — CID 95875413

IUPAC[(2S)-2-methylpiperidin-1-yl]-[4-(6-methylpyridazin-3-yl)oxyphenyl]methanone
SMILESCc1ccc(Oc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)nn1
InChIInChI=1S/C18H21N3O2/c1-13-6-11-17(20-19-13)23-16-9-7-15(8-10-16)18(22)21-12-4-3-5-14(21)2/h6-11,14H,3-5,12H2,1-2H3/t14-/m0/s1
InChIKeyLVZGGDPYOUEHFT-AWEZNQCLSA-N
MW311.39 g/mol
LogP3.59
Rot. Bonds3

About [(2S)-2-methylpiperidin-1-yl]-[4-(6-methylpyridazin-3-yl)oxyphenyl]methanone

[(2S)-2-methylpiperidin-1-yl]-[4-(6-methylpyridazin-3-yl)oxyphenyl]methanone (PubChem CID 95875413) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is [(2S)-2-methylpiperidin-1-yl]-[4-(6-methylpyridazin-3-yl)oxyphenyl]methanone.

Molecular Properties

Compound Name[(2S)-2-methylpiperidin-1-yl]-[4-(6-methylpyridazin-3-yl)oxyphenyl]methanone
PubChem CID95875413
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name[(2S)-2-methylpiperidin-1-yl]-[4-(6-methylpyridazin-3-yl)oxyphenyl]methanone
SMILESCc1ccc(Oc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)nn1
InChIInChI=1S/C18H21N3O2/c1-13-6-11-17(20-19-13)23-16-9-7-15(8-10-16)18(22)21-12-4-3-5-14(21)2/h6-11,14H,3-5,12H2,1-2H3/t14-/m0/s1
InChIKeyLVZGGDPYOUEHFT-AWEZNQCLSA-N
XLogP3.59
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylpiperidin-1-yl)-(4-pyrazin-2-yloxyphenyl)methanone
CID 3778135
N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]acetamide
CID 669487
(4-aminophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 713107
(6-methyl-3-pyridinyl)-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 10058742
[4-(methylamino)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 62170939
[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone
CID 2532732
[4-[(4-methoxyphenoxy)methyl]phenyl]-(2-methylpiperidin-1-yl)methanone
CID 122195788
cyclopropyl-[4-[4-[(2S)-2-methylpiperidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone
CID 42466727
(2,6-dimethyl-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 128939743
(2-methylpiperidin-1-yl)-[4-(5-methylpyrazol-1-yl)phenyl]methanone
CID 46419890
[6-[(2S)-2-methylpiperidine-1-carbonyl]-3-pyridinyl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 1222984
4-[6-methyl-2-(2-methylpiperidin-1-yl)pyrimidin-4-yl]oxybenzoic acid
CID 71563642

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methylpiperidin-1-yl]-[4-(6-methylpyridazin-3-yl)oxyphenyl]methanone?
The IUPAC name of [(2S)-2-methylpiperidin-1-yl]-[4-(6-methylpyridazin-3-yl)oxyphenyl]methanone (CID 95875413) is [(2S)-2-methylpiperidin-1-yl]-[4-(6-methylpyridazin-3-yl)oxyphenyl]methanone.
What is the SMILES notation for [(2S)-2-methylpiperidin-1-yl]-[4-(6-methylpyridazin-3-yl)oxyphenyl]methanone?
The canonical SMILES for [(2S)-2-methylpiperidin-1-yl]-[4-(6-methylpyridazin-3-yl)oxyphenyl]methanone is Cc1ccc(Oc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)nn1.
What is the InChIKey of [(2S)-2-methylpiperidin-1-yl]-[4-(6-methylpyridazin-3-yl)oxyphenyl]methanone?
The InChIKey is LVZGGDPYOUEHFT-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-6-11-17(20-19-13)23-16-9-7-15(8-10-16)18(22)21-12-4-3-5-14(21)2/h6-11,14H,3-5,12H2,1-2H3/t14-/m0/s1.
What are the key properties of [(2S)-2-methylpiperidin-1-yl]-[4-(6-methylpyridazin-3-yl)oxyphenyl]methanone?
[(2S)-2-methylpiperidin-1-yl]-[4-(6-methylpyridazin-3-yl)oxyphenyl]methanone has a molecular weight of 311.39 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methylpiperidin-1-yl]-[4-(6-methylpyridazin-3-yl)oxyphenyl]methanone is sourced from PubChem (CID 95875413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).