1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-3-(2-methylphenoxy)propan-1-one

C24H32N2O4 — CID 9318967

IUPAC1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-3-(2-methylphenoxy)propan-1-one
SMILESCOc1cc(C)c(CN2CCN(C(=O)CCOc3ccccc3C)CC2)cc1OC
InChIInChI=1S/C24H32N2O4/c1-18-7-5-6-8-21(18)30-14-9-24(27)26-12-10-25(11-13-26)17-20-16-23(29-4)22(28-3)15-19(20)2/h5-8,15-16H,9-14,17H2,1-4H3
InChIKeyNWTIPOIYKLHCBA-UHFFFAOYSA-N
MW412.53 g/mol
LogP3.43
Rot. Bonds8

About 1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-3-(2-methylphenoxy)propan-1-one

1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-3-(2-methylphenoxy)propan-1-one (PubChem CID 9318967) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is 1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-3-(2-methylphenoxy)propan-1-one.

Molecular Properties

Compound Name1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-3-(2-methylphenoxy)propan-1-one
PubChem CID9318967
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC Name1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-3-(2-methylphenoxy)propan-1-one
SMILESCOc1cc(C)c(CN2CCN(C(=O)CCOc3ccccc3C)CC2)cc1OC
InChIInChI=1S/C24H32N2O4/c1-18-7-5-6-8-21(18)30-14-9-24(27)26-12-10-25(11-13-26)17-20-16-23(29-4)22(28-3)15-19(20)2/h5-8,15-16H,9-14,17H2,1-4H3
InChIKeyNWTIPOIYKLHCBA-UHFFFAOYSA-N
XLogP3.43
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-3-(2-methylphenoxy)propan-1-one with MolForge

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Related Compounds

2-chloro-1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 4962199
3-(2-methoxyphenoxy)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one
CID 60601108
1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone
CID 43030406
1-[3-(2-methylphenoxy)propanoyl]piperidin-4-one
CID 39361353
1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-(2-methylphenoxy)propan-1-one
CID 9237667
3-amino-1-[4-[3-(2-methoxyphenoxy)propanoyl]piperazin-1-yl]propan-1-one
CID 4740257
4-[4-[3-(2-methylphenoxy)propanoyl]piperazine-1-carbonyl]benzoic acid
CID 4739974
1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-4-phenoxybutan-1-one
CID 110398993
3-(2,5-dimethylphenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 27665246
1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 8687109
3-(2-methylphenoxy)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one
CID 9069724
2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-N-phenylacetamide
CID 8719420

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-3-(2-methylphenoxy)propan-1-one?
The IUPAC name of 1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-3-(2-methylphenoxy)propan-1-one (CID 9318967) is 1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-3-(2-methylphenoxy)propan-1-one.
What is the SMILES notation for 1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-3-(2-methylphenoxy)propan-1-one?
The canonical SMILES for 1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-3-(2-methylphenoxy)propan-1-one is COc1cc(C)c(CN2CCN(C(=O)CCOc3ccccc3C)CC2)cc1OC.
What is the InChIKey of 1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-3-(2-methylphenoxy)propan-1-one?
The InChIKey is NWTIPOIYKLHCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-18-7-5-6-8-21(18)30-14-9-24(27)26-12-10-25(11-13-26)17-20-16-23(29-4)22(28-3)15-19(20)2/h5-8,15-16H,9-14,17H2,1-4H3.
What are the key properties of 1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-3-(2-methylphenoxy)propan-1-one?
1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-3-(2-methylphenoxy)propan-1-one has a molecular weight of 412.53 g/mol, XLogP of 3.43, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-3-(2-methylphenoxy)propan-1-one is sourced from PubChem (CID 9318967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).