(3-methoxy-4-methylphenyl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone

C18H23N3O2 — CID 71926871

IUPAC(3-methoxy-4-methylphenyl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCCC(c3cc(C)[nH]n3)C2)ccc1C
InChIInChI=1S/C18H23N3O2/c1-12-6-7-14(10-17(12)23-3)18(22)21-8-4-5-15(11-21)16-9-13(2)19-20-16/h6-7,9-10,15H,4-5,8,11H2,1-3H3,(H,19,20)
InChIKeyZQVBEKWMZHUFEK-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.05
Rot. Bonds3

About (3-methoxy-4-methylphenyl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone

(3-methoxy-4-methylphenyl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone (PubChem CID 71926871) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (3-methoxy-4-methylphenyl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methoxy-4-methylphenyl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
PubChem CID71926871
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name(3-methoxy-4-methylphenyl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCCC(c3cc(C)[nH]n3)C2)ccc1C
InChIInChI=1S/C18H23N3O2/c1-12-6-7-14(10-17(12)23-3)18(22)21-8-4-5-15(11-21)16-9-13(2)19-20-16/h6-7,9-10,15H,4-5,8,11H2,1-3H3,(H,19,20)
InChIKeyZQVBEKWMZHUFEK-UHFFFAOYSA-N
XLogP3.05
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 90354217
N-[(1S)-2-amino-1-phenylethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 90385099
2-fluoro-3-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 118663021
1-[(1S,2R,4R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[2-methoxy-4-(1H-pyrazol-3-yl)phenyl]ethane-1,2-dione
CID 24995077
1-[(1S,2R,4R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[3-methoxy-4-(1H-pyrazol-3-yl)phenyl]ethane-1,2-dione
CID 44191420
N-[(1-{3-[(2E)-but-2-enoylamino]propyl}piperidin-4-yl)methyl]-5-methoxy-1H-indazole-3-carboxamide
CID 71714700
3-methoxy-N-[(3-methoxyphenyl)methyl]-4-(1H-pyrazol-4-yl)benzamide
CID 85470447
3-methoxy-N-[(2-methoxyphenyl)methyl]-4-(1H-pyrazol-4-yl)benzamide
CID 90354129
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methoxybenzamide
CID 894645
3-(4-ethoxyphenyl)-N-[(1-methyl-4-piperidinylidene)amino]-1H-pyrazole-5-carboxamide
CID 4593003
(4-methoxyphenyl)(3-phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)methanone
CID 8031310
3-{1-[(3-cyclopropyl-1H-pyrazol-5-yl)carbonyl]piperidin-3-yl}-N-(3-methoxybenzyl)propanamide
CID 16190988

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-methylphenyl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-methoxy-4-methylphenyl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone (CID 71926871) is (3-methoxy-4-methylphenyl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-methoxy-4-methylphenyl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-methoxy-4-methylphenyl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone is COc1cc(C(=O)N2CCCC(c3cc(C)[nH]n3)C2)ccc1C.
What is the InChIKey of (3-methoxy-4-methylphenyl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is ZQVBEKWMZHUFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-12-6-7-14(10-17(12)23-3)18(22)21-8-4-5-15(11-21)16-9-13(2)19-20-16/h6-7,9-10,15H,4-5,8,11H2,1-3H3,(H,19,20).
What are the key properties of (3-methoxy-4-methylphenyl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone?
(3-methoxy-4-methylphenyl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 313.40 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-methylphenyl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 71926871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).