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

C25H28N2O3 — CID 6733025

IUPAC(4-methylphenyl)methyl 4-[(2-methoxynaphthalen-1-yl)methyl]piperazine-1-carboxylate
SMILESCOc1ccc2ccccc2c1CN1CCN(C(=O)OCc2ccc(C)cc2)CC1
InChIInChI=1S/C25H28N2O3/c1-19-7-9-20(10-8-19)18-30-25(28)27-15-13-26(14-16-27)17-23-22-6-4-3-5-21(22)11-12-24(23)29-2/h3-12H,13-18H2,1-2H3
InChIKeyNDKHOQALSZPONY-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.61
Rot. Bonds5

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

(4-methylphenyl)methyl 4-[(2-methoxynaphthalen-1-yl)methyl]piperazine-1-carboxylate (PubChem CID 6733025) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is (4-methylphenyl)methyl 4-[(2-methoxynaphthalen-1-yl)methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Name(4-methylphenyl)methyl 4-[(2-methoxynaphthalen-1-yl)methyl]piperazine-1-carboxylate
PubChem CID6733025
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name(4-methylphenyl)methyl 4-[(2-methoxynaphthalen-1-yl)methyl]piperazine-1-carboxylate
SMILESCOc1ccc2ccccc2c1CN1CCN(C(=O)OCc2ccc(C)cc2)CC1
InChIInChI=1S/C25H28N2O3/c1-19-7-9-20(10-8-19)18-30-25(28)27-15-13-26(14-16-27)17-23-22-6-4-3-5-21(22)11-12-24(23)29-2/h3-12H,13-18H2,1-2H3
InChIKeyNDKHOQALSZPONY-UHFFFAOYSA-N
XLogP4.61
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(difluoromethoxy)phenyl]methyl 4-[(2-methoxynaphthalen-1-yl)methyl]piperazine-1-carboxylate
CID 6711009
(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
furan-2-yl-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]methanone;oxalic acid
CID 17366521
3-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]propan-1-amine
CID 54855934
benzyl aziridine-1-carboxylate;silane
CID 158496499
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
2-[4-[(4-phenylmethoxycarbonylpiperazin-1-yl)methyl]phenyl]acetic acid
CID 68949809
1-(2-ethoxyphenyl)-4-[(2-methoxynaphthalen-1-yl)methyl]piperazine
CID 1376192
benzyl 4-[[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazine-1-carboxylate
CID 126651869
1-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]naphthalen-2-ol
CID 9325307
(2S)-4-[(2-methoxynaphthalen-1-yl)methyl]-N,2-dimethylmorpholine-2-carboxamide
CID 124961811

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl 4-[(2-methoxynaphthalen-1-yl)methyl]piperazine-1-carboxylate?
The IUPAC name of (4-methylphenyl)methyl 4-[(2-methoxynaphthalen-1-yl)methyl]piperazine-1-carboxylate (CID 6733025) is (4-methylphenyl)methyl 4-[(2-methoxynaphthalen-1-yl)methyl]piperazine-1-carboxylate.
What is the SMILES notation for (4-methylphenyl)methyl 4-[(2-methoxynaphthalen-1-yl)methyl]piperazine-1-carboxylate?
The canonical SMILES for (4-methylphenyl)methyl 4-[(2-methoxynaphthalen-1-yl)methyl]piperazine-1-carboxylate is COc1ccc2ccccc2c1CN1CCN(C(=O)OCc2ccc(C)cc2)CC1.
What is the InChIKey of (4-methylphenyl)methyl 4-[(2-methoxynaphthalen-1-yl)methyl]piperazine-1-carboxylate?
The InChIKey is NDKHOQALSZPONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-19-7-9-20(10-8-19)18-30-25(28)27-15-13-26(14-16-27)17-23-22-6-4-3-5-21(22)11-12-24(23)29-2/h3-12H,13-18H2,1-2H3.
What are the key properties of (4-methylphenyl)methyl 4-[(2-methoxynaphthalen-1-yl)methyl]piperazine-1-carboxylate?
(4-methylphenyl)methyl 4-[(2-methoxynaphthalen-1-yl)methyl]piperazine-1-carboxylate has a molecular weight of 404.51 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methyl 4-[(2-methoxynaphthalen-1-yl)methyl]piperazine-1-carboxylate is sourced from PubChem (CID 6733025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).