(2,5-dimethoxyphenyl)-[4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]phenyl]methanone

C26H29N3O4 — CID 26363433

IUPAC(2,5-dimethoxyphenyl)-[4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]phenyl]methanone
SMILESCCc1cn[nH]c1C1CCN(C(=O)c2ccc(C(=O)c3cc(OC)ccc3OC)cc2)CC1
InChIInChI=1S/C26H29N3O4/c1-4-17-16-27-28-24(17)18-11-13-29(14-12-18)26(31)20-7-5-19(6-8-20)25(30)22-15-21(32-2)9-10-23(22)33-3/h5-10,15-16,18H,4,11-14H2,1-3H3,(H,27,28)
InChIKeyIHTHPAAWNVJGEW-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.24
Rot. Bonds7

About (2,5-dimethoxyphenyl)-[4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]phenyl]methanone

(2,5-dimethoxyphenyl)-[4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]phenyl]methanone (PubChem CID 26363433) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-[4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]phenyl]methanone.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-[4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]phenyl]methanone
PubChem CID26363433
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC Name(2,5-dimethoxyphenyl)-[4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]phenyl]methanone
SMILESCCc1cn[nH]c1C1CCN(C(=O)c2ccc(C(=O)c3cc(OC)ccc3OC)cc2)CC1
InChIInChI=1S/C26H29N3O4/c1-4-17-16-27-28-24(17)18-11-13-29(14-12-18)26(31)20-7-5-19(6-8-20)25(30)22-15-21(32-2)9-10-23(22)33-3/h5-10,15-16,18H,4,11-14H2,1-3H3,(H,27,28)
InChIKeyIHTHPAAWNVJGEW-UHFFFAOYSA-N
XLogP4.24
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2,5-dimethoxyphenyl)-[4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]phenyl]methanone with MolForge

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Related Compounds

[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone
CID 42164676
1-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 70758401
5-[1-[4-(2,5-dimethoxybenzoyl)benzoyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 45249473
[4-(aminomethyl)phenyl]-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone;hydrochloride
CID 154895013
(1-ethylpyrazol-4-yl)-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 70737159
[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 50956041
(2,5-dimethoxyphenyl)-pyridazin-4-ylmethanone
CID 105098338
(3-ethyl-4-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 82486019
4-(2,5-dimethoxybenzoyl)-N,N-dipropylbenzamide
CID 1377997
(2,5-dimethoxyphenyl)-(4-morpholin-4-ylphenyl)methanone
CID 23913459
(3,4-dimethoxyphenyl)-[4-(4-ethylphenyl)piperidin-1-yl]methanone
CID 70598788
azepan-1-yl-[5-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyrazol-4-yl]methanone
CID 110082926

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-[4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]phenyl]methanone?
The IUPAC name of (2,5-dimethoxyphenyl)-[4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]phenyl]methanone (CID 26363433) is (2,5-dimethoxyphenyl)-[4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]phenyl]methanone.
What is the SMILES notation for (2,5-dimethoxyphenyl)-[4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]phenyl]methanone?
The canonical SMILES for (2,5-dimethoxyphenyl)-[4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]phenyl]methanone is CCc1cn[nH]c1C1CCN(C(=O)c2ccc(C(=O)c3cc(OC)ccc3OC)cc2)CC1.
What is the InChIKey of (2,5-dimethoxyphenyl)-[4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]phenyl]methanone?
The InChIKey is IHTHPAAWNVJGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-4-17-16-27-28-24(17)18-11-13-29(14-12-18)26(31)20-7-5-19(6-8-20)25(30)22-15-21(32-2)9-10-23(22)33-3/h5-10,15-16,18H,4,11-14H2,1-3H3,(H,27,28).
What are the key properties of (2,5-dimethoxyphenyl)-[4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]phenyl]methanone?
(2,5-dimethoxyphenyl)-[4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]phenyl]methanone has a molecular weight of 447.54 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)-[4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]phenyl]methanone is sourced from PubChem (CID 26363433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).