ethyl 4-(4-naphthalen-1-ylpiperidin-1-yl)piperidine-1-carboxylate

C23H30N2O2 — CID 24770902

IUPACethyl 4-(4-naphthalen-1-ylpiperidin-1-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC(c3cccc4ccccc34)CC2)CC1
InChIInChI=1S/C23H30N2O2/c1-2-27-23(26)25-16-12-20(13-17-25)24-14-10-19(11-15-24)22-9-5-7-18-6-3-4-8-21(18)22/h3-9,19-20H,2,10-17H2,1H3
InChIKeyHWGJTDVVEGTXQW-UHFFFAOYSA-N
MW366.50 g/mol
LogP4.64
Rot. Bonds3

About ethyl 4-(4-naphthalen-1-ylpiperidin-1-yl)piperidine-1-carboxylate

ethyl 4-(4-naphthalen-1-ylpiperidin-1-yl)piperidine-1-carboxylate (PubChem CID 24770902) has the molecular formula C23H30N2O2 and a molecular weight of 366.50 g/mol. Its IUPAC name is ethyl 4-(4-naphthalen-1-ylpiperidin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-naphthalen-1-ylpiperidin-1-yl)piperidine-1-carboxylate
PubChem CID24770902
Molecular FormulaC23H30N2O2
Molecular Weight366.50 g/mol
Exact Mass366.23
IUPAC Nameethyl 4-(4-naphthalen-1-ylpiperidin-1-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC(c3cccc4ccccc34)CC2)CC1
InChIInChI=1S/C23H30N2O2/c1-2-27-23(26)25-16-12-20(13-17-25)24-14-10-19(11-15-24)22-9-5-7-18-6-3-4-8-21(18)22/h3-9,19-20H,2,10-17H2,1H3
InChIKeyHWGJTDVVEGTXQW-UHFFFAOYSA-N
XLogP4.64
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(4-pyridin-4-ylpiperidin-1-yl)piperidine-1-carboxylate
CID 78318993
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ethyl 4-(4-phenylpiperazin-1-yl)piperidine-1-carboxylate
CID 3469280
ethyl 4-[4-(5-methyl-1-benzothiophen-3-yl)piperidin-1-yl]piperidine-1-carboxylate
CID 11740879
ethyl 4-[4-[2-(fluoromethoxy)-3-pyridinyl]piperidin-1-yl]azepane-1-carboxylate
CID 118604292
ethyl 4-(4-pyrimidin-2-ylpiperidin-1-yl)azepane-1-carboxylate
CID 78318381
ethyl 3-(1H-indol-3-yl)pyrrolidine-1-carboxylate
CID 110711039
3-amino-1-(4-naphthalen-1-ylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119760305
ethyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 59433488
ethyl 4-[4-[2-(2-methylpyrazol-3-yl)-3-pyridinyl]piperidin-1-yl]azepane-1-carboxylate
CID 78318255
ethyl 4-[4-(benzenesulfonyl)piperazin-1-yl]piperidine-1-carboxylate
CID 1151828
ethyl 4-benzo[e][1]benzofuran-2-ylpiperidine-1-carboxylate
CID 54207843

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-naphthalen-1-ylpiperidin-1-yl)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(4-naphthalen-1-ylpiperidin-1-yl)piperidine-1-carboxylate (CID 24770902) is ethyl 4-(4-naphthalen-1-ylpiperidin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-naphthalen-1-ylpiperidin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-naphthalen-1-ylpiperidin-1-yl)piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CCC(c3cccc4ccccc34)CC2)CC1.
What is the InChIKey of ethyl 4-(4-naphthalen-1-ylpiperidin-1-yl)piperidine-1-carboxylate?
The InChIKey is HWGJTDVVEGTXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-2-27-23(26)25-16-12-20(13-17-25)24-14-10-19(11-15-24)22-9-5-7-18-6-3-4-8-21(18)22/h3-9,19-20H,2,10-17H2,1H3.
What are the key properties of ethyl 4-(4-naphthalen-1-ylpiperidin-1-yl)piperidine-1-carboxylate?
ethyl 4-(4-naphthalen-1-ylpiperidin-1-yl)piperidine-1-carboxylate has a molecular weight of 366.50 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-naphthalen-1-ylpiperidin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 24770902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).