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

C19H22N2O3 — CID 937879

IUPAC(2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3ccccc3OC)CC2)cc1
InChIInChI=1S/C19H22N2O3/c1-23-16-9-7-15(8-10-16)20-11-13-21(14-12-20)19(22)17-5-3-4-6-18(17)24-2/h3-10H,11-14H2,1-2H3
InChIKeyVNSKVKSZUHRVEY-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.67
Rot. Bonds4

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

(2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 937879) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is (2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID937879
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name(2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3ccccc3OC)CC2)cc1
InChIInChI=1S/C19H22N2O3/c1-23-16-9-7-15(8-10-16)20-11-13-21(14-12-20)19(22)17-5-3-4-6-18(17)24-2/h3-10H,11-14H2,1-2H3
InChIKeyVNSKVKSZUHRVEY-UHFFFAOYSA-N
XLogP2.67
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(2,6-dimethoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 113077374
[4-(3,4-dimethylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 113075511
(2-methoxy-5-methylphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 51211149
[4-(4-methoxyphenyl)piperazin-1-yl]-(2-phenylphenyl)methanone
CID 2948850
[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 113077894
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 113080152
[4-(4-fluorophenyl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone
CID 47005182
[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 113076848
(2-chloro-3-pyridinyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 9159021
[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 1148027
(4,5-dimethoxy-2-pyrrol-1-ylphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 45493878
4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzamide
CID 55376450

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (CID 937879) is (2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is COc1ccc(N2CCN(C(=O)c3ccccc3OC)CC2)cc1.
What is the InChIKey of (2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is VNSKVKSZUHRVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-23-16-9-7-15(8-10-16)20-11-13-21(14-12-20)19(22)17-5-3-4-6-18(17)24-2/h3-10H,11-14H2,1-2H3.
What are the key properties of (2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
(2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 326.40 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 937879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).