4-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-4-oxobutanoate

C20H21N2O5- — CID 2050458

IUPAC4-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-4-oxobutanoate
SMILESO=C([O-])CCC(=O)N1CCN(C(=O)COc2ccc3ccccc3c2)CC1
InChIInChI=1S/C20H22N2O5/c23-18(7-8-20(25)26)21-9-11-22(12-10-21)19(24)14-27-17-6-5-15-3-1-2-4-16(15)13-17/h1-6,13H,7-12,14H2,(H,25,26)/p-1
InChIKeyFMJWARKYZGJUCB-UHFFFAOYSA-M
MW369.40 g/mol
LogP0.42
Rot. Bonds6

About 4-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-4-oxobutanoate

4-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-4-oxobutanoate (PubChem CID 2050458) has the molecular formula C20H21N2O5- and a molecular weight of 369.40 g/mol. Its IUPAC name is 4-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-4-oxobutanoate.

Molecular Properties

Compound Name4-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-4-oxobutanoate
PubChem CID2050458
Molecular FormulaC20H21N2O5-
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Name4-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-4-oxobutanoate
SMILESO=C([O-])CCC(=O)N1CCN(C(=O)COc2ccc3ccccc3c2)CC1
InChIInChI=1S/C20H22N2O5/c23-18(7-8-20(25)26)21-9-11-22(12-10-21)19(24)14-27-17-6-5-15-3-1-2-4-16(15)13-17/h1-6,13H,7-12,14H2,(H,25,26)/p-1
InChIKeyFMJWARKYZGJUCB-UHFFFAOYSA-M
XLogP0.42
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;hydrochloride
CID 119400066
N-hydroxy-8-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-8-oxooctanamide
CID 10238336
ethyl 4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxylate
CID 846270
N,N-diethyl-4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxamide
CID 34222283
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 1072046
4-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-4-oxobutanoate
CID 2050274
2-[1-(2-naphthalen-2-yloxyacetyl)piperidin-4-yl]acetic acid
CID 119178087
1-[4-(2-methylcyclohexyl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 4159290
1-[4-[(1S,2R)-2-methylcyclohexyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 7354673
1-(4-cyclopentylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone;oxalic acid
CID 2880120
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 1072053
1-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 1357381

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-4-oxobutanoate?
The IUPAC name of 4-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-4-oxobutanoate (CID 2050458) is 4-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-4-oxobutanoate.
What is the SMILES notation for 4-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-4-oxobutanoate?
The canonical SMILES for 4-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-4-oxobutanoate is O=C([O-])CCC(=O)N1CCN(C(=O)COc2ccc3ccccc3c2)CC1.
What is the InChIKey of 4-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-4-oxobutanoate?
The InChIKey is FMJWARKYZGJUCB-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H22N2O5/c23-18(7-8-20(25)26)21-9-11-22(12-10-21)19(24)14-27-17-6-5-15-3-1-2-4-16(15)13-17/h1-6,13H,7-12,14H2,(H,25,26)/p-1.
What are the key properties of 4-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-4-oxobutanoate?
4-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-4-oxobutanoate has a molecular weight of 369.40 g/mol, XLogP of 0.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-4-oxobutanoate is sourced from PubChem (CID 2050458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).