N-[1-(1-benzoylpiperidin-4-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-4-methylbenzamide

C25H31N3O4 — CID 46020448

IUPACN-[1-(1-benzoylpiperidin-4-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-4-methylbenzamide
SMILESCOCCNC(=O)C(NC(=O)c1ccc(C)cc1)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C25H31N3O4/c1-18-8-10-20(11-9-18)23(29)27-22(24(30)26-14-17-32-2)19-12-15-28(16-13-19)25(31)21-6-4-3-5-7-21/h3-11,19,22H,12-17H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyGECYTRNUMPNNSL-UHFFFAOYSA-N
MW437.54 g/mol
LogP2.41
Rot. Bonds8

About N-[1-(1-benzoylpiperidin-4-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-4-methylbenzamide

N-[1-(1-benzoylpiperidin-4-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-4-methylbenzamide (PubChem CID 46020448) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-[1-(1-benzoylpiperidin-4-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-(1-benzoylpiperidin-4-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-4-methylbenzamide
PubChem CID46020448
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC NameN-[1-(1-benzoylpiperidin-4-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-4-methylbenzamide
SMILESCOCCNC(=O)C(NC(=O)c1ccc(C)cc1)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C25H31N3O4/c1-18-8-10-20(11-9-18)23(29)27-22(24(30)26-14-17-32-2)19-12-15-28(16-13-19)25(31)21-6-4-3-5-7-21/h3-11,19,22H,12-17H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyGECYTRNUMPNNSL-UHFFFAOYSA-N
XLogP2.41
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 93199300
N-[1-(1-benzoylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-4-methylbenzamide
CID 46020539
N-[(1R)-1-(1-benzoylpiperidin-4-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
CID 93196580
N-[(1S)-2-(2-methoxyethylamino)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide
CID 93199700
N-[(1R)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-4-methylbenzamide
CID 93199723
N-[(1S)-1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-3-methylbenzamide
CID 93198858
4-[(1R)-2-(2-methoxyethylamino)-1-[(4-methylbenzoyl)amino]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 93200107
N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-4-methylbenzamide
CID 93199800
N-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]-4-methylbenzamide
CID 46020533
N-[(1R)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 93199318
N-[(1R)-1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
CID 93196592
3-methoxy-N-[(1S)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]benzamide
CID 93198291

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzoylpiperidin-4-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-4-methylbenzamide?
The IUPAC name of N-[1-(1-benzoylpiperidin-4-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-4-methylbenzamide (CID 46020448) is N-[1-(1-benzoylpiperidin-4-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-4-methylbenzamide.
What is the SMILES notation for N-[1-(1-benzoylpiperidin-4-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-4-methylbenzamide?
The canonical SMILES for N-[1-(1-benzoylpiperidin-4-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-4-methylbenzamide is COCCNC(=O)C(NC(=O)c1ccc(C)cc1)C1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of N-[1-(1-benzoylpiperidin-4-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-4-methylbenzamide?
The InChIKey is GECYTRNUMPNNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-18-8-10-20(11-9-18)23(29)27-22(24(30)26-14-17-32-2)19-12-15-28(16-13-19)25(31)21-6-4-3-5-7-21/h3-11,19,22H,12-17H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of N-[1-(1-benzoylpiperidin-4-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-4-methylbenzamide?
N-[1-(1-benzoylpiperidin-4-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-4-methylbenzamide has a molecular weight of 437.54 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzoylpiperidin-4-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-4-methylbenzamide is sourced from PubChem (CID 46020448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).