naphthalen-1-ylmethyl 1-acetyl-4-phenylpiperidine-4-carboxylate

C25H25NO3 — CID 8526911

IUPACnaphthalen-1-ylmethyl 1-acetyl-4-phenylpiperidine-4-carboxylate
SMILESCC(=O)N1CCC(C(=O)OCc2cccc3ccccc23)(c2ccccc2)CC1
InChIInChI=1S/C25H25NO3/c1-19(27)26-16-14-25(15-17-26,22-11-3-2-4-12-22)24(28)29-18-21-10-7-9-20-8-5-6-13-23(20)21/h2-13H,14-18H2,1H3
InChIKeyTZDSTIJSKDQKQR-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.46
Rot. Bonds4

About naphthalen-1-ylmethyl 1-acetyl-4-phenylpiperidine-4-carboxylate

naphthalen-1-ylmethyl 1-acetyl-4-phenylpiperidine-4-carboxylate (PubChem CID 8526911) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is naphthalen-1-ylmethyl 1-acetyl-4-phenylpiperidine-4-carboxylate.

Molecular Properties

Compound Namenaphthalen-1-ylmethyl 1-acetyl-4-phenylpiperidine-4-carboxylate
PubChem CID8526911
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Namenaphthalen-1-ylmethyl 1-acetyl-4-phenylpiperidine-4-carboxylate
SMILESCC(=O)N1CCC(C(=O)OCc2cccc3ccccc23)(c2ccccc2)CC1
InChIInChI=1S/C25H25NO3/c1-19(27)26-16-14-25(15-17-26,22-11-3-2-4-12-22)24(28)29-18-21-10-7-9-20-8-5-6-13-23(20)21/h2-13H,14-18H2,1H3
InChIKeyTZDSTIJSKDQKQR-UHFFFAOYSA-N
XLogP4.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of naphthalen-1-ylmethyl 1-acetyl-4-phenylpiperidine-4-carboxylate?
The IUPAC name of naphthalen-1-ylmethyl 1-acetyl-4-phenylpiperidine-4-carboxylate (CID 8526911) is naphthalen-1-ylmethyl 1-acetyl-4-phenylpiperidine-4-carboxylate.
What is the SMILES notation for naphthalen-1-ylmethyl 1-acetyl-4-phenylpiperidine-4-carboxylate?
The canonical SMILES for naphthalen-1-ylmethyl 1-acetyl-4-phenylpiperidine-4-carboxylate is CC(=O)N1CCC(C(=O)OCc2cccc3ccccc23)(c2ccccc2)CC1.
What is the InChIKey of naphthalen-1-ylmethyl 1-acetyl-4-phenylpiperidine-4-carboxylate?
The InChIKey is TZDSTIJSKDQKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3/c1-19(27)26-16-14-25(15-17-26,22-11-3-2-4-12-22)24(28)29-18-21-10-7-9-20-8-5-6-13-23(20)21/h2-13H,14-18H2,1H3.
What are the key properties of naphthalen-1-ylmethyl 1-acetyl-4-phenylpiperidine-4-carboxylate?
naphthalen-1-ylmethyl 1-acetyl-4-phenylpiperidine-4-carboxylate has a molecular weight of 387.48 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-ylmethyl 1-acetyl-4-phenylpiperidine-4-carboxylate is sourced from PubChem (CID 8526911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).