(1-acetylnaphthalen-2-yl) 4-benzylpiperidine-1-carboxylate

C25H25NO3 — CID 11625234

IUPAC(1-acetylnaphthalen-2-yl) 4-benzylpiperidine-1-carboxylate
SMILESCC(=O)c1c(OC(=O)N2CCC(Cc3ccccc3)CC2)ccc2ccccc12
InChIInChI=1S/C25H25NO3/c1-18(27)24-22-10-6-5-9-21(22)11-12-23(24)29-25(28)26-15-13-20(14-16-26)17-19-7-3-2-4-8-19/h2-12,20H,13-17H2,1H3
InChIKeyJRHRLNLILANBSR-UHFFFAOYSA-N
MW387.48 g/mol
LogP5.50
Rot. Bonds4

About (1-acetylnaphthalen-2-yl) 4-benzylpiperidine-1-carboxylate

(1-acetylnaphthalen-2-yl) 4-benzylpiperidine-1-carboxylate (PubChem CID 11625234) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is (1-acetylnaphthalen-2-yl) 4-benzylpiperidine-1-carboxylate.

Molecular Properties

Compound Name(1-acetylnaphthalen-2-yl) 4-benzylpiperidine-1-carboxylate
PubChem CID11625234
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Name(1-acetylnaphthalen-2-yl) 4-benzylpiperidine-1-carboxylate
SMILESCC(=O)c1c(OC(=O)N2CCC(Cc3ccccc3)CC2)ccc2ccccc12
InChIInChI=1S/C25H25NO3/c1-18(27)24-22-10-6-5-9-21(22)11-12-23(24)29-25(28)26-15-13-20(14-16-26)17-19-7-3-2-4-8-19/h2-12,20H,13-17H2,1H3
InChIKeyJRHRLNLILANBSR-UHFFFAOYSA-N
XLogP5.50
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-acetylnaphthalen-2-yl) 4-methylpiperidine-1-carboxylate
CID 11515131
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
isoquinolin-3-yl 4-benzylpiperidine-1-carboxylate
CID 59825511
methyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 110754151
1-chloropropan-2-yl 4-benzylpiperidine-1-carboxylate
CID 154187769
ethyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 113005741
9H-fluoren-9-ylmethyl 4-benzylpiperidine-1-carboxylate
CID 102221470
1-(4-benzylpiperidin-1-yl)-2-[2-[2-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]ethoxy]ethoxy]ethanone
CID 21053636
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
1,1,1,3,3,3-hexafluoropropan-2-yl 4-benzylpiperidine-1-carboxylate
CID 89480931
phenyl 4-[[4-(1-aminoethenyl)phenyl]methyl]piperidine-1-carboxylate
CID 89198381
1-(4-benzylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942755

Frequently Asked Questions

What is the IUPAC name of (1-acetylnaphthalen-2-yl) 4-benzylpiperidine-1-carboxylate?
The IUPAC name of (1-acetylnaphthalen-2-yl) 4-benzylpiperidine-1-carboxylate (CID 11625234) is (1-acetylnaphthalen-2-yl) 4-benzylpiperidine-1-carboxylate.
What is the SMILES notation for (1-acetylnaphthalen-2-yl) 4-benzylpiperidine-1-carboxylate?
The canonical SMILES for (1-acetylnaphthalen-2-yl) 4-benzylpiperidine-1-carboxylate is CC(=O)c1c(OC(=O)N2CCC(Cc3ccccc3)CC2)ccc2ccccc12.
What is the InChIKey of (1-acetylnaphthalen-2-yl) 4-benzylpiperidine-1-carboxylate?
The InChIKey is JRHRLNLILANBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3/c1-18(27)24-22-10-6-5-9-21(22)11-12-23(24)29-25(28)26-15-13-20(14-16-26)17-19-7-3-2-4-8-19/h2-12,20H,13-17H2,1H3.
What are the key properties of (1-acetylnaphthalen-2-yl) 4-benzylpiperidine-1-carboxylate?
(1-acetylnaphthalen-2-yl) 4-benzylpiperidine-1-carboxylate has a molecular weight of 387.48 g/mol, XLogP of 5.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetylnaphthalen-2-yl) 4-benzylpiperidine-1-carboxylate is sourced from PubChem (CID 11625234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).