[2-[4-[3-[(2-ethoxyphenyl)methylcarbamoyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-oxo-1-phenylethyl] acetate

C31H35N3O5 — CID 3434029

IUPAC[2-[4-[3-[(2-ethoxyphenyl)methylcarbamoyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-oxo-1-phenylethyl] acetate
SMILESCCOc1ccccc1CNC(=O)c1ccc(C)nc1C1CCN(C(=O)C(OC(C)=O)c2ccccc2)CC1
InChIInChI=1S/C31H35N3O5/c1-4-38-27-13-9-8-12-25(27)20-32-30(36)26-15-14-21(2)33-28(26)23-16-18-34(19-17-23)31(37)29(39-22(3)35)24-10-6-5-7-11-24/h5-15,23,29H,4,16-20H2,1-3H3,(H,32,36)
InChIKeyXYQSEFGEFKBIBO-UHFFFAOYSA-N
MW529.64 g/mol
LogP4.73
Rot. Bonds9

About [2-[4-[3-[(2-ethoxyphenyl)methylcarbamoyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-oxo-1-phenylethyl] acetate

[2-[4-[3-[(2-ethoxyphenyl)methylcarbamoyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-oxo-1-phenylethyl] acetate (PubChem CID 3434029) has the molecular formula C31H35N3O5 and a molecular weight of 529.64 g/mol. Its IUPAC name is [2-[4-[3-[(2-ethoxyphenyl)methylcarbamoyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-oxo-1-phenylethyl] acetate.

Molecular Properties

Compound Name[2-[4-[3-[(2-ethoxyphenyl)methylcarbamoyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-oxo-1-phenylethyl] acetate
PubChem CID3434029
Molecular FormulaC31H35N3O5
Molecular Weight529.64 g/mol
Exact Mass529.26
IUPAC Name[2-[4-[3-[(2-ethoxyphenyl)methylcarbamoyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-oxo-1-phenylethyl] acetate
SMILESCCOc1ccccc1CNC(=O)c1ccc(C)nc1C1CCN(C(=O)C(OC(C)=O)c2ccccc2)CC1
InChIInChI=1S/C31H35N3O5/c1-4-38-27-13-9-8-12-25(27)20-32-30(36)26-15-14-21(2)33-28(26)23-16-18-34(19-17-23)31(37)29(39-22(3)35)24-10-6-5-7-11-24/h5-15,23,29H,4,16-20H2,1-3H3,(H,32,36)
InChIKeyXYQSEFGEFKBIBO-UHFFFAOYSA-N
XLogP4.73
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.64
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[4-[3-[(2-ethoxyphenyl)methylcarbamoyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-oxo-1-phenylethyl] acetate with MolForge

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-6-methyl-2-[1-[2-(phenylcarbamoylamino)acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 3760709
ethyl 2-[[4-[3-[(2-ethoxyphenyl)methylcarbamoyl]-6-methyl-2-pyridinyl]piperidine-1-carbothioyl]amino]propanoate
CID 3700653
2-[1-[2-(dimethylamino)benzoyl]piperidin-4-yl]-N-[(2-ethoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 3415479
2-[1-(3-chloro-4-methylthiophene-2-carbonyl)piperidin-4-yl]-N-[(2-ethoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 3574375
2-[1-[2-[4-(dimethylamino)phenyl]acetyl]piperidin-4-yl]-N-[(2-ethoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 3436160
2-[1-(5-chlorofuran-2-carbonyl)piperidin-4-yl]-N-[(2-ethoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 3689862
6-methyl-N-[(2-methylphenyl)methyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 46068495
N-[(2-ethoxyphenyl)methyl]-6-methyl-2-[1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 5003727
2-[1-(ethylcarbamoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 42867441
N-[(2-methoxyphenyl)methyl]-2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 83287729
[(1S)-2-[4-[6-methyl-3-(1,3-thiazolidine-3-carbonyl)-2-pyridinyl]piperidin-1-yl]-2-oxo-1-phenylethyl] acetate
CID 74226934
N-[(2-ethoxyphenyl)methyl]-2-[1-[2-(5-fluoro-1H-indol-3-yl)acetyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 3434027

Frequently Asked Questions

What is the IUPAC name of [2-[4-[3-[(2-ethoxyphenyl)methylcarbamoyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-oxo-1-phenylethyl] acetate?
The IUPAC name of [2-[4-[3-[(2-ethoxyphenyl)methylcarbamoyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-oxo-1-phenylethyl] acetate (CID 3434029) is [2-[4-[3-[(2-ethoxyphenyl)methylcarbamoyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-oxo-1-phenylethyl] acetate.
What is the SMILES notation for [2-[4-[3-[(2-ethoxyphenyl)methylcarbamoyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-oxo-1-phenylethyl] acetate?
The canonical SMILES for [2-[4-[3-[(2-ethoxyphenyl)methylcarbamoyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-oxo-1-phenylethyl] acetate is CCOc1ccccc1CNC(=O)c1ccc(C)nc1C1CCN(C(=O)C(OC(C)=O)c2ccccc2)CC1.
What is the InChIKey of [2-[4-[3-[(2-ethoxyphenyl)methylcarbamoyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-oxo-1-phenylethyl] acetate?
The InChIKey is XYQSEFGEFKBIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N3O5/c1-4-38-27-13-9-8-12-25(27)20-32-30(36)26-15-14-21(2)33-28(26)23-16-18-34(19-17-23)31(37)29(39-22(3)35)24-10-6-5-7-11-24/h5-15,23,29H,4,16-20H2,1-3H3,(H,32,36).
What are the key properties of [2-[4-[3-[(2-ethoxyphenyl)methylcarbamoyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-oxo-1-phenylethyl] acetate?
[2-[4-[3-[(2-ethoxyphenyl)methylcarbamoyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-oxo-1-phenylethyl] acetate has a molecular weight of 529.64 g/mol, XLogP of 4.73, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[3-[(2-ethoxyphenyl)methylcarbamoyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-oxo-1-phenylethyl] acetate is sourced from PubChem (CID 3434029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).