2-(4-chlorophenyl)ethyl 8-(4-methylpiperazin-1-yl)naphthalene-2-carboxylate

C24H25ClN2O2 — CID 67626676

IUPAC2-(4-chlorophenyl)ethyl 8-(4-methylpiperazin-1-yl)naphthalene-2-carboxylate
SMILESCN1CCN(c2cccc3ccc(C(=O)OCCc4ccc(Cl)cc4)cc23)CC1
InChIInChI=1S/C24H25ClN2O2/c1-26-12-14-27(15-13-26)23-4-2-3-19-7-8-20(17-22(19)23)24(28)29-16-11-18-5-9-21(25)10-6-18/h2-10,17H,11-16H2,1H3
InChIKeyZOSINTTWOMRUNU-UHFFFAOYSA-N
MW408.93 g/mol
LogP4.64
Rot. Bonds5

About 2-(4-chlorophenyl)ethyl 8-(4-methylpiperazin-1-yl)naphthalene-2-carboxylate

2-(4-chlorophenyl)ethyl 8-(4-methylpiperazin-1-yl)naphthalene-2-carboxylate (PubChem CID 67626676) has the molecular formula C24H25ClN2O2 and a molecular weight of 408.93 g/mol. Its IUPAC name is 2-(4-chlorophenyl)ethyl 8-(4-methylpiperazin-1-yl)naphthalene-2-carboxylate.

Molecular Properties

Compound Name2-(4-chlorophenyl)ethyl 8-(4-methylpiperazin-1-yl)naphthalene-2-carboxylate
PubChem CID67626676
Molecular FormulaC24H25ClN2O2
Molecular Weight408.93 g/mol
Exact Mass408.16
IUPAC Name2-(4-chlorophenyl)ethyl 8-(4-methylpiperazin-1-yl)naphthalene-2-carboxylate
SMILESCN1CCN(c2cccc3ccc(C(=O)OCCc4ccc(Cl)cc4)cc23)CC1
InChIInChI=1S/C24H25ClN2O2/c1-26-12-14-27(15-13-26)23-4-2-3-19-7-8-20(17-22(19)23)24(28)29-16-11-18-5-9-21(25)10-6-18/h2-10,17H,11-16H2,1H3
InChIKeyZOSINTTWOMRUNU-UHFFFAOYSA-N
XLogP4.64
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[8-(4-methylpiperazin-1-yl)naphthalen-2-yl] 4-chlorobenzoate
CID 18967509
8-(4-methylpiperazin-1-yl)-N-phenylnaphthalene-2-carboxamide
CID 54247739
8-(4-methylpiperazin-1-yl)naphthalen-2-amine
CID 23353484
2-(4-chlorophenyl)ethyl 4-(2-chlorophenyl)piperazine-1-carboxylate
CID 6733654
2-(4-benzoyloxyphenyl)ethyl 6-benzoyloxynaphthalene-2-carboxylate
CID 142376943
4-[7-(1-butoxyethenyl)naphthalen-1-yl]piperazine-1-carboxylic acid
CID 21073366
2-(4-chlorophenyl)ethyl 4-(4-hydroxyphenyl)benzoate
CID 22287065
N-[2-(1H-indol-3-yl)ethyl]-8-(4-methylpiperazin-1-yl)naphthalene-2-carboxamide
CID 22115646
2-(4-chlorophenyl)-5-[1-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethyl]-1,3,4-oxadiazole
CID 22115704
1-methyl-4-(7-nonoxynaphthalen-1-yl)piperazine
CID 67762808
[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] naphthalene-2-carboxylate
CID 9018392
tert-butyl 4-[7-(1-butoxyethenyl)naphthalen-1-yl]piperazine-1-carboxylate
CID 69420855

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)ethyl 8-(4-methylpiperazin-1-yl)naphthalene-2-carboxylate?
The IUPAC name of 2-(4-chlorophenyl)ethyl 8-(4-methylpiperazin-1-yl)naphthalene-2-carboxylate (CID 67626676) is 2-(4-chlorophenyl)ethyl 8-(4-methylpiperazin-1-yl)naphthalene-2-carboxylate.
What is the SMILES notation for 2-(4-chlorophenyl)ethyl 8-(4-methylpiperazin-1-yl)naphthalene-2-carboxylate?
The canonical SMILES for 2-(4-chlorophenyl)ethyl 8-(4-methylpiperazin-1-yl)naphthalene-2-carboxylate is CN1CCN(c2cccc3ccc(C(=O)OCCc4ccc(Cl)cc4)cc23)CC1.
What is the InChIKey of 2-(4-chlorophenyl)ethyl 8-(4-methylpiperazin-1-yl)naphthalene-2-carboxylate?
The InChIKey is ZOSINTTWOMRUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O2/c1-26-12-14-27(15-13-26)23-4-2-3-19-7-8-20(17-22(19)23)24(28)29-16-11-18-5-9-21(25)10-6-18/h2-10,17H,11-16H2,1H3.
What are the key properties of 2-(4-chlorophenyl)ethyl 8-(4-methylpiperazin-1-yl)naphthalene-2-carboxylate?
2-(4-chlorophenyl)ethyl 8-(4-methylpiperazin-1-yl)naphthalene-2-carboxylate has a molecular weight of 408.93 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)ethyl 8-(4-methylpiperazin-1-yl)naphthalene-2-carboxylate is sourced from PubChem (CID 67626676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).