(2,3-dimethoxyphenyl)-[4-[1-(4-methylphenyl)pyrazol-4-yl]piperidin-1-yl]methanone

C24H27N3O3 — CID 71835785

IUPAC(2,3-dimethoxyphenyl)-[4-[1-(4-methylphenyl)pyrazol-4-yl]piperidin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCC(c3cnn(-c4ccc(C)cc4)c3)CC2)c1OC
InChIInChI=1S/C24H27N3O3/c1-17-7-9-20(10-8-17)27-16-19(15-25-27)18-11-13-26(14-12-18)24(28)21-5-4-6-22(29-2)23(21)30-3/h4-10,15-16,18H,11-14H2,1-3H3
InChIKeyMQUMTUOWXUQWDK-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.22
Rot. Bonds5

About (2,3-dimethoxyphenyl)-[4-[1-(4-methylphenyl)pyrazol-4-yl]piperidin-1-yl]methanone

(2,3-dimethoxyphenyl)-[4-[1-(4-methylphenyl)pyrazol-4-yl]piperidin-1-yl]methanone (PubChem CID 71835785) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is (2,3-dimethoxyphenyl)-[4-[1-(4-methylphenyl)pyrazol-4-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethoxyphenyl)-[4-[1-(4-methylphenyl)pyrazol-4-yl]piperidin-1-yl]methanone
PubChem CID71835785
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name(2,3-dimethoxyphenyl)-[4-[1-(4-methylphenyl)pyrazol-4-yl]piperidin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCC(c3cnn(-c4ccc(C)cc4)c3)CC2)c1OC
InChIInChI=1S/C24H27N3O3/c1-17-7-9-20(10-8-17)27-16-19(15-25-27)18-11-13-26(14-12-18)24(28)21-5-4-6-22(29-2)23(21)30-3/h4-10,15-16,18H,11-14H2,1-3H3
InChIKeyMQUMTUOWXUQWDK-UHFFFAOYSA-N
XLogP4.22
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-hydroxyphenyl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 51327321
(2,3-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119647989
[3-(chloromethyl)pyrrolidin-1-yl]-(2,3-dimethoxyphenyl)methanone
CID 63396306
(2,3-dimethoxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119999366
(2-methoxyphenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone
CID 71786960
CID 163403651
CID 163403651
(2,3-dimethoxyphenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
CID 90560263
(4-amino-3-methylpiperidin-1-yl)-(2,3-dimethoxyphenyl)methanone;hydrochloride
CID 119592562
(2,3-dimethoxyphenyl)-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121163003
[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-phenylmethanone
CID 53149302
3-[1-(2,3-dimethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160226
(5-bromofuran-2-yl)-[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone
CID 71842302

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxyphenyl)-[4-[1-(4-methylphenyl)pyrazol-4-yl]piperidin-1-yl]methanone?
The IUPAC name of (2,3-dimethoxyphenyl)-[4-[1-(4-methylphenyl)pyrazol-4-yl]piperidin-1-yl]methanone (CID 71835785) is (2,3-dimethoxyphenyl)-[4-[1-(4-methylphenyl)pyrazol-4-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2,3-dimethoxyphenyl)-[4-[1-(4-methylphenyl)pyrazol-4-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2,3-dimethoxyphenyl)-[4-[1-(4-methylphenyl)pyrazol-4-yl]piperidin-1-yl]methanone is COc1cccc(C(=O)N2CCC(c3cnn(-c4ccc(C)cc4)c3)CC2)c1OC.
What is the InChIKey of (2,3-dimethoxyphenyl)-[4-[1-(4-methylphenyl)pyrazol-4-yl]piperidin-1-yl]methanone?
The InChIKey is MQUMTUOWXUQWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-17-7-9-20(10-8-17)27-16-19(15-25-27)18-11-13-26(14-12-18)24(28)21-5-4-6-22(29-2)23(21)30-3/h4-10,15-16,18H,11-14H2,1-3H3.
What are the key properties of (2,3-dimethoxyphenyl)-[4-[1-(4-methylphenyl)pyrazol-4-yl]piperidin-1-yl]methanone?
(2,3-dimethoxyphenyl)-[4-[1-(4-methylphenyl)pyrazol-4-yl]piperidin-1-yl]methanone has a molecular weight of 405.50 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethoxyphenyl)-[4-[1-(4-methylphenyl)pyrazol-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 71835785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).