[(3R)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone

C19H22ClN3O2 — CID 95564061

IUPAC[(3R)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
SMILESCOc1c(C)cc(C(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)cc1C
InChIInChI=1S/C19H22ClN3O2/c1-12-9-15(10-13(2)19(12)25-3)18(24)14-5-4-8-23(11-14)17-7-6-16(20)21-22-17/h6-7,9-10,14H,4-5,8,11H2,1-3H3/t14-/m1/s1
InChIKeyKACVVDBTCIEABI-CQSZACIVSA-N
MW359.86 g/mol
LogP3.85
Rot. Bonds4

About [(3R)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone

[(3R)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone (PubChem CID 95564061) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is [(3R)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name[(3R)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
PubChem CID95564061
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name[(3R)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
SMILESCOc1c(C)cc(C(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)cc1C
InChIInChI=1S/C19H22ClN3O2/c1-12-9-15(10-13(2)19(12)25-3)18(24)14-5-4-8-23(11-14)17-7-6-16(20)21-22-17/h6-7,9-10,14H,4-5,8,11H2,1-3H3/t14-/m1/s1
InChIKeyKACVVDBTCIEABI-CQSZACIVSA-N
XLogP3.85
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(6-chloropyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 94161179
2-[(3R)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-yl]-6-methylpyridine-3-carboxamide
CID 95545192
(4-methoxy-3,5-dimethylphenyl)-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone
CID 45231207
[(3R)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 96557217
(3S)-1-(6-chloropyridazin-3-yl)-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 51983369
(3R)-1-(6-chloropyridazin-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 51983350
cis-(1R,2S)-2-[[1-(6-chloropyridazin-3-yl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 167817663
[(3S)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 94178167
(3S)-1-(6-chloropyridazin-3-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 94161671
(3R)-1-(6-chloropyridazin-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 51983348
methyl 1-(6-methylpyridazin-3-yl)piperidine-3-carboxylate
CID 116972483
(3S)-1-(6-chloropyridazin-3-yl)-N-[(1S)-1-(2-methoxyphenyl)propyl]piperidine-3-carboxamide
CID 51956311

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone?
The IUPAC name of [(3R)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone (CID 95564061) is [(3R)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone.
What is the SMILES notation for [(3R)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone?
The canonical SMILES for [(3R)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone is COc1c(C)cc(C(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)cc1C.
What is the InChIKey of [(3R)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone?
The InChIKey is KACVVDBTCIEABI-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-12-9-15(10-13(2)19(12)25-3)18(24)14-5-4-8-23(11-14)17-7-6-16(20)21-22-17/h6-7,9-10,14H,4-5,8,11H2,1-3H3/t14-/m1/s1.
What are the key properties of [(3R)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone?
[(3R)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone has a molecular weight of 359.86 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone is sourced from PubChem (CID 95564061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).