ethyl 2-(1-benzyl-4-naphthalen-2-ylpiperidin-4-yl)acetate

C26H29NO2 — CID 22613816

IUPACethyl 2-(1-benzyl-4-naphthalen-2-ylpiperidin-4-yl)acetate
SMILESCCOC(=O)CC1(c2ccc3ccccc3c2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H29NO2/c1-2-29-25(28)19-26(24-13-12-22-10-6-7-11-23(22)18-24)14-16-27(17-15-26)20-21-8-4-3-5-9-21/h3-13,18H,2,14-17,19-20H2,1H3
InChIKeyADBPZVQOHCAXOH-UHFFFAOYSA-N
MW387.52 g/mol
LogP5.33
Rot. Bonds6

About ethyl 2-(1-benzyl-4-naphthalen-2-ylpiperidin-4-yl)acetate

ethyl 2-(1-benzyl-4-naphthalen-2-ylpiperidin-4-yl)acetate (PubChem CID 22613816) has the molecular formula C26H29NO2 and a molecular weight of 387.52 g/mol. Its IUPAC name is ethyl 2-(1-benzyl-4-naphthalen-2-ylpiperidin-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-benzyl-4-naphthalen-2-ylpiperidin-4-yl)acetate
PubChem CID22613816
Molecular FormulaC26H29NO2
Molecular Weight387.52 g/mol
Exact Mass387.22
IUPAC Nameethyl 2-(1-benzyl-4-naphthalen-2-ylpiperidin-4-yl)acetate
SMILESCCOC(=O)CC1(c2ccc3ccccc3c2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H29NO2/c1-2-29-25(28)19-26(24-13-12-22-10-6-7-11-23(22)18-24)14-16-27(17-15-26)20-21-8-4-3-5-9-21/h3-13,18H,2,14-17,19-20H2,1H3
InChIKeyADBPZVQOHCAXOH-UHFFFAOYSA-N
XLogP5.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.52
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[1-benzyl-4-(benzylamino)piperidin-4-yl]acetate
CID 22360002
ethyl 1-(naphthalen-2-ylmethyl)-4-(2-phenylethyl)piperidine-4-carboxylate
CID 10024006
ethyl 2-[4-benzyl-7,10-bis(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 14031656
ethyl 2-[1-[3-(furan-2-yl)-3-oxopropyl]-4-phenylpiperidin-4-yl]acetate
CID 170859240
[1-benzyl-4-(4-methoxyphenyl)piperidin-4-yl]methanamine
CID 95504616
ethyl 3-[(1-benzyl-4-methylpiperidine-4-carbonyl)amino]propanoate
CID 75455716
ethyl 2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)acetate
CID 25167286
ethyl 1-benzyl-4-ethylsulfonylpiperidine-4-carboxylate
CID 99997104
methyl 4-amino-1-benzylpiperidine-4-carboxylate
CID 3044632
1-benzyl-4-ethoxypiperidine-4-carboxylic acid
CID 84711075
ethyl 2-(7-benzyl-7-azabicyclo[2.2.1]heptan-1-yl)acetate
CID 10707427
ethyl 2-[4-benzyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]thiomorpholin-2-yl]acetate
CID 91375531

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-benzyl-4-naphthalen-2-ylpiperidin-4-yl)acetate?
The IUPAC name of ethyl 2-(1-benzyl-4-naphthalen-2-ylpiperidin-4-yl)acetate (CID 22613816) is ethyl 2-(1-benzyl-4-naphthalen-2-ylpiperidin-4-yl)acetate.
What is the SMILES notation for ethyl 2-(1-benzyl-4-naphthalen-2-ylpiperidin-4-yl)acetate?
The canonical SMILES for ethyl 2-(1-benzyl-4-naphthalen-2-ylpiperidin-4-yl)acetate is CCOC(=O)CC1(c2ccc3ccccc3c2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of ethyl 2-(1-benzyl-4-naphthalen-2-ylpiperidin-4-yl)acetate?
The InChIKey is ADBPZVQOHCAXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO2/c1-2-29-25(28)19-26(24-13-12-22-10-6-7-11-23(22)18-24)14-16-27(17-15-26)20-21-8-4-3-5-9-21/h3-13,18H,2,14-17,19-20H2,1H3.
What are the key properties of ethyl 2-(1-benzyl-4-naphthalen-2-ylpiperidin-4-yl)acetate?
ethyl 2-(1-benzyl-4-naphthalen-2-ylpiperidin-4-yl)acetate has a molecular weight of 387.52 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-benzyl-4-naphthalen-2-ylpiperidin-4-yl)acetate is sourced from PubChem (CID 22613816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).