methyl 1-(2-naphthalen-2-ylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate

C28H32N2O3 — CID 102014816

IUPACmethyl 1-(2-naphthalen-2-ylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate
SMILESCCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCc2ccc3ccccc3c2)CC1
InChIInChI=1S/C28H32N2O3/c1-3-26(31)30(25-11-5-4-6-12-25)28(27(32)33-2)16-19-29(20-17-28)18-15-22-13-14-23-9-7-8-10-24(23)21-22/h4-14,21H,3,15-20H2,1-2H3
InChIKeyYOYOOJLUDFLQHY-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.83
Rot. Bonds7

About methyl 1-(2-naphthalen-2-ylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate

methyl 1-(2-naphthalen-2-ylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate (PubChem CID 102014816) has the molecular formula C28H32N2O3 and a molecular weight of 444.58 g/mol. Its IUPAC name is methyl 1-(2-naphthalen-2-ylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-naphthalen-2-ylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate
PubChem CID102014816
Molecular FormulaC28H32N2O3
Molecular Weight444.58 g/mol
Exact Mass444.24
IUPAC Namemethyl 1-(2-naphthalen-2-ylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate
SMILESCCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCc2ccc3ccccc3c2)CC1
InChIInChI=1S/C28H32N2O3/c1-3-26(31)30(25-11-5-4-6-12-25)28(27(32)33-2)16-19-29(20-17-28)18-15-22-13-14-23-9-7-8-10-24(23)21-22/h4-14,21H,3,15-20H2,1-2H3
InChIKeyYOYOOJLUDFLQHY-UHFFFAOYSA-N
XLogP4.83
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-naphthalen-2-ylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(2-naphthalen-2-ylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate (CID 102014816) is methyl 1-(2-naphthalen-2-ylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2-naphthalen-2-ylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2-naphthalen-2-ylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate is CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCc2ccc3ccccc3c2)CC1.
What is the InChIKey of methyl 1-(2-naphthalen-2-ylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate?
The InChIKey is YOYOOJLUDFLQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O3/c1-3-26(31)30(25-11-5-4-6-12-25)28(27(32)33-2)16-19-29(20-17-28)18-15-22-13-14-23-9-7-8-10-24(23)21-22/h4-14,21H,3,15-20H2,1-2H3.
What are the key properties of methyl 1-(2-naphthalen-2-ylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate?
methyl 1-(2-naphthalen-2-ylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate has a molecular weight of 444.58 g/mol, XLogP of 4.83, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-naphthalen-2-ylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate is sourced from PubChem (CID 102014816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).