[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methylphenyl)cyclopropyl]methanone

C22H26N2O2 — CID 113198236

IUPAC[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methylphenyl)cyclopropyl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)C2(c3ccc(C)cc3)CC2)CC1
InChIInChI=1S/C22H26N2O2/c1-17-7-9-18(10-8-17)22(11-12-22)21(25)24-15-13-23(14-16-24)19-5-3-4-6-20(19)26-2/h3-10H,11-16H2,1-2H3
InChIKeyDBAMNWPZQFCDOU-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.38
Rot. Bonds4

About [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methylphenyl)cyclopropyl]methanone

[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methylphenyl)cyclopropyl]methanone (PubChem CID 113198236) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methylphenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methylphenyl)cyclopropyl]methanone
PubChem CID113198236
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methylphenyl)cyclopropyl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)C2(c3ccc(C)cc3)CC2)CC1
InChIInChI=1S/C22H26N2O2/c1-17-7-9-18(10-8-17)22(11-12-22)21(25)24-15-13-23(14-16-24)19-5-3-4-6-20(19)26-2/h3-10H,11-16H2,1-2H3
InChIKeyDBAMNWPZQFCDOU-UHFFFAOYSA-N
XLogP3.38
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methanone
CID 113211732
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[(4-methylphenyl)methylsulfanyl]ethanone
CID 1208587
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one
CID 17383685
[4-(2-methoxyphenyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119826585
1-[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-phenylpiperidin-1-yl]ethanone
CID 39891735
[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 113210609
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-(4-methylphenyl)acetamide
CID 113123983
(Z)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobut-2-enoic acid
CID 46784567
[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 90503702
1-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide
CID 108970253
1-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide
CID 108978792

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methylphenyl)cyclopropyl]methanone?
The IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methylphenyl)cyclopropyl]methanone (CID 113198236) is [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methylphenyl)cyclopropyl]methanone.
What is the SMILES notation for [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methylphenyl)cyclopropyl]methanone?
The canonical SMILES for [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methylphenyl)cyclopropyl]methanone is COc1ccccc1N1CCN(C(=O)C2(c3ccc(C)cc3)CC2)CC1.
What is the InChIKey of [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methylphenyl)cyclopropyl]methanone?
The InChIKey is DBAMNWPZQFCDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-17-7-9-18(10-8-17)22(11-12-22)21(25)24-15-13-23(14-16-24)19-5-3-4-6-20(19)26-2/h3-10H,11-16H2,1-2H3.
What are the key properties of [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methylphenyl)cyclopropyl]methanone?
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methylphenyl)cyclopropyl]methanone has a molecular weight of 350.46 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methylphenyl)cyclopropyl]methanone is sourced from PubChem (CID 113198236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).