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

C22H26N2O2 — CID 110413880

IUPAC2-cyclopropyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylethanone
SMILESCOc1ccccc1N1CCN(C(=O)C(c2ccccc2)C2CC2)CC1
InChIInChI=1S/C22H26N2O2/c1-26-20-10-6-5-9-19(20)23-13-15-24(16-14-23)22(25)21(18-11-12-18)17-7-3-2-4-8-17/h2-10,18,21H,11-16H2,1H3
InChIKeyMDWQXKGJDMCRIG-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.54
Rot. Bonds5

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

2-cyclopropyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylethanone (PubChem CID 110413880) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-cyclopropyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylethanone
PubChem CID110413880
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name2-cyclopropyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylethanone
SMILESCOc1ccccc1N1CCN(C(=O)C(c2ccccc2)C2CC2)CC1
InChIInChI=1S/C22H26N2O2/c1-26-20-10-6-5-9-19(20)23-13-15-24(16-14-23)22(25)21(18-11-12-18)17-7-3-2-4-8-17/h2-10,18,21H,11-16H2,1H3
InChIKeyMDWQXKGJDMCRIG-UHFFFAOYSA-N
XLogP3.54
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 110301118
(2R)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 15549623
2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 46614027
2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120796728
3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 18956031
3-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120502403
3-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119952615
cyclopentyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4084330
3-amino-2-methoxy-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 106111168
2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119826529
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
(2S)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methylpentan-1-one
CID 22691105

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylethanone?
The IUPAC name of 2-cyclopropyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylethanone (CID 110413880) is 2-cyclopropyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 2-cyclopropyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 2-cyclopropyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylethanone is COc1ccccc1N1CCN(C(=O)C(c2ccccc2)C2CC2)CC1.
What is the InChIKey of 2-cyclopropyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylethanone?
The InChIKey is MDWQXKGJDMCRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-26-20-10-6-5-9-19(20)23-13-15-24(16-14-23)22(25)21(18-11-12-18)17-7-3-2-4-8-17/h2-10,18,21H,11-16H2,1H3.
What are the key properties of 2-cyclopropyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylethanone?
2-cyclopropyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylethanone has a molecular weight of 350.46 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 110413880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).