(4-methoxyphenyl)-[(3S)-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]methanone

C18H21N3O3 — CID 95791894

IUPAC(4-methoxyphenyl)-[(3S)-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]methanone
SMILESCOc1ccc(C(=O)[C@H]2CCCN(C(=O)c3cn[nH]c3C)C2)cc1
InChIInChI=1S/C18H21N3O3/c1-12-16(10-19-20-12)18(23)21-9-3-4-14(11-21)17(22)13-5-7-15(24-2)8-6-13/h5-8,10,14H,3-4,9,11H2,1-2H3,(H,19,20)/t14-/m0/s1
InChIKeyJBYDOJMQGUNCFW-AWEZNQCLSA-N
MW327.38 g/mol
LogP2.46
Rot. Bonds4

About (4-methoxyphenyl)-[(3S)-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]methanone

(4-methoxyphenyl)-[(3S)-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]methanone (PubChem CID 95791894) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (4-methoxyphenyl)-[(3S)-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[(3S)-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]methanone
PubChem CID95791894
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(4-methoxyphenyl)-[(3S)-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]methanone
SMILESCOc1ccc(C(=O)[C@H]2CCCN(C(=O)c3cn[nH]c3C)C2)cc1
InChIInChI=1S/C18H21N3O3/c1-12-16(10-19-20-12)18(23)21-9-3-4-14(11-21)17(22)13-5-7-15(24-2)8-6-13/h5-8,10,14H,3-4,9,11H2,1-2H3,(H,19,20)/t14-/m0/s1
InChIKeyJBYDOJMQGUNCFW-AWEZNQCLSA-N
XLogP2.46
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-methoxyphenyl)-[(3S)-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]methanone with MolForge

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Related Compounds

[1-(2-methoxybenzoyl)piperidin-3-yl]-(4-methoxyphenyl)methanone
CID 110394690
cyclopentyl-[3-(4-methoxybenzoyl)piperidin-1-yl]methanone
CID 110394678
[(3R)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 95810095
[3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 110249739
methyl 3-(4-methoxybenzoyl)piperidine-1-carboxylate
CID 110394724
(4-methoxyphenyl)-[(3S)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methanone
CID 51492761
(3,4-dimethoxyphenyl)-[1-[5-(3-methylphenyl)-1H-pyrazole-4-carbonyl]piperidin-3-yl]methanone
CID 56852640
(4-methoxyphenyl)-[1-(oxolane-2-carbonyl)piperidin-3-yl]methanone
CID 110394676
[1-(3-methoxybenzoyl)piperidin-3-yl]-(4-methylphenyl)methanone
CID 110394605
(3-aminopiperidin-1-yl)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanone;hydrochloride
CID 119378470
[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119489278
(6-methoxynaphthalen-2-yl)-[1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methanone
CID 24791502

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[(3S)-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[(3S)-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]methanone (CID 95791894) is (4-methoxyphenyl)-[(3S)-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[(3S)-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[(3S)-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]methanone is COc1ccc(C(=O)[C@H]2CCCN(C(=O)c3cn[nH]c3C)C2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[(3S)-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]methanone?
The InChIKey is JBYDOJMQGUNCFW-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-16(10-19-20-12)18(23)21-9-3-4-14(11-21)17(22)13-5-7-15(24-2)8-6-13/h5-8,10,14H,3-4,9,11H2,1-2H3,(H,19,20)/t14-/m0/s1.
What are the key properties of (4-methoxyphenyl)-[(3S)-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]methanone?
(4-methoxyphenyl)-[(3S)-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]methanone has a molecular weight of 327.38 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[(3S)-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 95791894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).