[4-(3-methoxyphenyl)piperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone

C22H28N2O3 — CID 31911957

IUPAC[4-(3-methoxyphenyl)piperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3cccc(OCC(C)C)c3)CC2)c1
InChIInChI=1S/C22H28N2O3/c1-17(2)16-27-21-9-4-6-18(14-21)22(25)24-12-10-23(11-13-24)19-7-5-8-20(15-19)26-3/h4-9,14-15,17H,10-13,16H2,1-3H3
InChIKeyXUVYRJPVGMEDCN-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.69
Rot. Bonds6

About [4-(3-methoxyphenyl)piperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone

[4-(3-methoxyphenyl)piperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone (PubChem CID 31911957) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is [4-(3-methoxyphenyl)piperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone.

Molecular Properties

Compound Name[4-(3-methoxyphenyl)piperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone
PubChem CID31911957
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name[4-(3-methoxyphenyl)piperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3cccc(OCC(C)C)c3)CC2)c1
InChIInChI=1S/C22H28N2O3/c1-17(2)16-27-21-9-4-6-18(14-21)22(25)24-12-10-23(11-13-24)19-7-5-8-20(15-19)26-3/h4-9,14-15,17H,10-13,16H2,1-3H3
InChIKeyXUVYRJPVGMEDCN-UHFFFAOYSA-N
XLogP3.69
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]phenyl]-3-(2-methylpropoxy)benzamide
CID 17128061
[3-(2-methylpropoxy)phenyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401618
(3,4-dimethylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 51143320
methyl 1-[3-(2-methylpropoxy)benzoyl]piperidine-4-carboxylate
CID 108731428
1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 78768997
[4-(3-aminopropyl)piperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone
CID 54852636
[4-(1-aminoethyl)piperidin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone
CID 119518490
6-[3-(2-methylpropoxy)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174556
(3-methoxyphenyl)-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]methanone
CID 113079051
(4-phenylpiperazin-1-yl)-(3-propoxyphenyl)methanone
CID 17175869
[4-[4-(diethylamino)phenyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 113078833
2-[2-methoxy-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenoxy]acetamide
CID 9089096

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxyphenyl)piperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone?
The IUPAC name of [4-(3-methoxyphenyl)piperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone (CID 31911957) is [4-(3-methoxyphenyl)piperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone.
What is the SMILES notation for [4-(3-methoxyphenyl)piperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone?
The canonical SMILES for [4-(3-methoxyphenyl)piperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone is COc1cccc(N2CCN(C(=O)c3cccc(OCC(C)C)c3)CC2)c1.
What is the InChIKey of [4-(3-methoxyphenyl)piperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone?
The InChIKey is XUVYRJPVGMEDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-17(2)16-27-21-9-4-6-18(14-21)22(25)24-12-10-23(11-13-24)19-7-5-8-20(15-19)26-3/h4-9,14-15,17H,10-13,16H2,1-3H3.
What are the key properties of [4-(3-methoxyphenyl)piperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone?
[4-(3-methoxyphenyl)piperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone has a molecular weight of 368.48 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxyphenyl)piperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone is sourced from PubChem (CID 31911957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).