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

C28H32N2O3 — CID 102014814

IUPACmethyl 1-(2-naphthalen-1-ylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate
SMILESCCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCc2cccc3ccccc23)CC1
InChIInChI=1S/C28H32N2O3/c1-3-26(31)30(24-13-5-4-6-14-24)28(27(32)33-2)17-20-29(21-18-28)19-16-23-12-9-11-22-10-7-8-15-25(22)23/h4-15H,3,16-21H2,1-2H3
InChIKeyLLZCSULKXRZHPP-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.83
Rot. Bonds7

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

methyl 1-(2-naphthalen-1-ylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate (PubChem CID 102014814) has the molecular formula C28H32N2O3 and a molecular weight of 444.58 g/mol. Its IUPAC name is methyl 1-(2-naphthalen-1-ylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-naphthalen-1-ylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate
PubChem CID102014814
Molecular FormulaC28H32N2O3
Molecular Weight444.58 g/mol
Exact Mass444.24
IUPAC Namemethyl 1-(2-naphthalen-1-ylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate
SMILESCCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCc2cccc3ccccc23)CC1
InChIInChI=1S/C28H32N2O3/c1-3-26(31)30(24-13-5-4-6-14-24)28(27(32)33-2)17-20-29(21-18-28)19-16-23-12-9-11-22-10-7-8-15-25(22)23/h4-15H,3,16-21H2,1-2H3
InChIKeyLLZCSULKXRZHPP-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-[2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 165365203
sodium;hydride;methyl 1-(2-phenylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 173002379
bis(methyl 1-(3-methoxy-3-oxopropyl)-4-(N-propanoylanilino)piperidine-4-carboxylate);hydrochloride
CID 68755108
2-aminoacetic acid;methyl 1-(3-methoxy-3-oxopropyl)-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 67588642
methyl 1-(3-methoxy-3-oxopropyl)-4-(N-propanoylanilino)piperidine-4-carboxylate;2-methylprop-2-enoic acid
CID 53341592
(E)-but-2-enoic acid;methyl 1-(3-methoxy-3-oxopropyl)-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 53341552
ethyl dihydrogen phosphate;methyl 1-(3-methoxy-3-oxopropyl)-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 69021348
2-oxobutyl 1-(2-phenylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 163899623
methyl 1-[2-(3-ethyl-2,4-dioxopyrimidin-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 14879904
methyl 1-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 19772583
methyl 1-[2-(6-oxo-5-propan-2-yl-1,2,4-triazin-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 14879907
methane;oxalic acid;1-(3-phenylpropyl)-4-(N-propanoylanilino)piperidine-4-carboxylic acid;hydrate
CID 173447461

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-naphthalen-1-ylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(2-naphthalen-1-ylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate (CID 102014814) is methyl 1-(2-naphthalen-1-ylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2-naphthalen-1-ylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2-naphthalen-1-ylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate is CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCc2cccc3ccccc23)CC1.
What is the InChIKey of methyl 1-(2-naphthalen-1-ylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate?
The InChIKey is LLZCSULKXRZHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O3/c1-3-26(31)30(24-13-5-4-6-14-24)28(27(32)33-2)17-20-29(21-18-28)19-16-23-12-9-11-22-10-7-8-15-25(22)23/h4-15H,3,16-21H2,1-2H3.
What are the key properties of methyl 1-(2-naphthalen-1-ylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate?
methyl 1-(2-naphthalen-1-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-1-ylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate is sourced from PubChem (CID 102014814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).