[2-(difluoromethoxy)phenyl]methyl 4-[(2-methoxynaphthalen-1-yl)methyl]piperazine-1-carboxylate

C25H26F2N2O4 — CID 6711009

IUPAC[2-(difluoromethoxy)phenyl]methyl 4-[(2-methoxynaphthalen-1-yl)methyl]piperazine-1-carboxylate
SMILESCOc1ccc2ccccc2c1CN1CCN(C(=O)OCc2ccccc2OC(F)F)CC1
InChIInChI=1S/C25H26F2N2O4/c1-31-23-11-10-18-6-2-4-8-20(18)21(23)16-28-12-14-29(15-13-28)25(30)32-17-19-7-3-5-9-22(19)33-24(26)27/h2-11,24H,12-17H2,1H3
InChIKeyJOQRHHQUCVLAQY-UHFFFAOYSA-N
MW456.49 g/mol
LogP4.90
Rot. Bonds7

About [2-(difluoromethoxy)phenyl]methyl 4-[(2-methoxynaphthalen-1-yl)methyl]piperazine-1-carboxylate

[2-(difluoromethoxy)phenyl]methyl 4-[(2-methoxynaphthalen-1-yl)methyl]piperazine-1-carboxylate (PubChem CID 6711009) has the molecular formula C25H26F2N2O4 and a molecular weight of 456.49 g/mol. Its IUPAC name is [2-(difluoromethoxy)phenyl]methyl 4-[(2-methoxynaphthalen-1-yl)methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Name[2-(difluoromethoxy)phenyl]methyl 4-[(2-methoxynaphthalen-1-yl)methyl]piperazine-1-carboxylate
PubChem CID6711009
Molecular FormulaC25H26F2N2O4
Molecular Weight456.49 g/mol
Exact Mass456.19
IUPAC Name[2-(difluoromethoxy)phenyl]methyl 4-[(2-methoxynaphthalen-1-yl)methyl]piperazine-1-carboxylate
SMILESCOc1ccc2ccccc2c1CN1CCN(C(=O)OCc2ccccc2OC(F)F)CC1
InChIInChI=1S/C25H26F2N2O4/c1-31-23-11-10-18-6-2-4-8-20(18)21(23)16-28-12-14-29(15-13-28)25(30)32-17-19-7-3-5-9-22(19)33-24(26)27/h2-11,24H,12-17H2,1H3
InChIKeyJOQRHHQUCVLAQY-UHFFFAOYSA-N
XLogP4.90
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.49
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylphenyl)methyl 4-[(2-methoxynaphthalen-1-yl)methyl]piperazine-1-carboxylate
CID 6733025
(2-fluorophenyl)-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]methanone
CID 1112882
2-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 112800157
3-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]propan-1-amine
CID 54855934
furan-2-yl-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]methanone;oxalic acid
CID 17366521
(2,6-dimethoxyphenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 1112837
1-[4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]ethanone
CID 135293907
1-[[2-(difluoromethoxy)naphthalen-1-yl]methyl]piperidine-3-carboxylic acid
CID 122040798
1-(2-ethoxyphenyl)-4-[(2-methoxynaphthalen-1-yl)methyl]piperazine
CID 1376192
2-(4-fluorophenyl)-N-[2-[7-[(2-methoxynaphthalen-1-yl)methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]acetamide
CID 26359094
ethyl 4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]piperazine-1-carboxylate
CID 8932090
[3-(difluoromethoxy)-4-methoxyphenyl]-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 55740839

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethoxy)phenyl]methyl 4-[(2-methoxynaphthalen-1-yl)methyl]piperazine-1-carboxylate?
The IUPAC name of [2-(difluoromethoxy)phenyl]methyl 4-[(2-methoxynaphthalen-1-yl)methyl]piperazine-1-carboxylate (CID 6711009) is [2-(difluoromethoxy)phenyl]methyl 4-[(2-methoxynaphthalen-1-yl)methyl]piperazine-1-carboxylate.
What is the SMILES notation for [2-(difluoromethoxy)phenyl]methyl 4-[(2-methoxynaphthalen-1-yl)methyl]piperazine-1-carboxylate?
The canonical SMILES for [2-(difluoromethoxy)phenyl]methyl 4-[(2-methoxynaphthalen-1-yl)methyl]piperazine-1-carboxylate is COc1ccc2ccccc2c1CN1CCN(C(=O)OCc2ccccc2OC(F)F)CC1.
What is the InChIKey of [2-(difluoromethoxy)phenyl]methyl 4-[(2-methoxynaphthalen-1-yl)methyl]piperazine-1-carboxylate?
The InChIKey is JOQRHHQUCVLAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N2O4/c1-31-23-11-10-18-6-2-4-8-20(18)21(23)16-28-12-14-29(15-13-28)25(30)32-17-19-7-3-5-9-22(19)33-24(26)27/h2-11,24H,12-17H2,1H3.
What are the key properties of [2-(difluoromethoxy)phenyl]methyl 4-[(2-methoxynaphthalen-1-yl)methyl]piperazine-1-carboxylate?
[2-(difluoromethoxy)phenyl]methyl 4-[(2-methoxynaphthalen-1-yl)methyl]piperazine-1-carboxylate has a molecular weight of 456.49 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethoxy)phenyl]methyl 4-[(2-methoxynaphthalen-1-yl)methyl]piperazine-1-carboxylate is sourced from PubChem (CID 6711009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).