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

C20H24N2O3 — CID 86977364

IUPAC(2-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C20H24N2O3/c1-24-19-10-6-5-9-18(19)20(23)22-13-11-21(12-14-22)15-16-25-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3
InChIKeyRPTVONBTZKPBHN-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.53
Rot. Bonds6

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

(2-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone (PubChem CID 86977364) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is (2-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
PubChem CID86977364
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name(2-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C20H24N2O3/c1-24-19-10-6-5-9-18(19)20(23)22-13-11-21(12-14-22)15-16-25-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3
InChIKeyRPTVONBTZKPBHN-UHFFFAOYSA-N
XLogP2.53
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 108533628
(2-hydroxyphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 31281275
[4-(2-phenoxyethyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 27846975
(2-aminophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 119946208
(2-methoxyphenyl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 53037966
(2-fluoro-4-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 55379370
(2-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone
CID 6422948
(2-chlorophenyl)-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110638152
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(2-methoxyphenyl)methanone
CID 63308302
1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-(4-methylphenoxy)butan-1-one
CID 108533625
(2-methoxy-4-pyridinyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 70726421
1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 113074785

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone (CID 86977364) is (2-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone is COc1ccccc1C(=O)N1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of (2-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone?
The InChIKey is RPTVONBTZKPBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-24-19-10-6-5-9-18(19)20(23)22-13-11-21(12-14-22)15-16-25-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3.
What are the key properties of (2-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone?
(2-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone has a molecular weight of 340.42 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 86977364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).