4-methoxy-N-[2-(3-methoxypropylamino)-2-oxo-1-[1-(3-phenylpropanoyl)piperidin-4-yl]ethyl]benzamide

C28H37N3O5 — CID 46019541

IUPAC4-methoxy-N-[2-(3-methoxypropylamino)-2-oxo-1-[1-(3-phenylpropanoyl)piperidin-4-yl]ethyl]benzamide
SMILESCOCCCNC(=O)C(NC(=O)c1ccc(OC)cc1)C1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C28H37N3O5/c1-35-20-6-17-29-28(34)26(30-27(33)23-10-12-24(36-2)13-11-23)22-15-18-31(19-16-22)25(32)14-9-21-7-4-3-5-8-21/h3-5,7-8,10-13,22,26H,6,9,14-20H2,1-2H3,(H,29,34)(H,30,33)
InChIKeyGUKMARXIPSTMTK-UHFFFAOYSA-N
MW495.62 g/mol
LogP2.82
Rot. Bonds12

About 4-methoxy-N-[2-(3-methoxypropylamino)-2-oxo-1-[1-(3-phenylpropanoyl)piperidin-4-yl]ethyl]benzamide

4-methoxy-N-[2-(3-methoxypropylamino)-2-oxo-1-[1-(3-phenylpropanoyl)piperidin-4-yl]ethyl]benzamide (PubChem CID 46019541) has the molecular formula C28H37N3O5 and a molecular weight of 495.62 g/mol. Its IUPAC name is 4-methoxy-N-[2-(3-methoxypropylamino)-2-oxo-1-[1-(3-phenylpropanoyl)piperidin-4-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(3-methoxypropylamino)-2-oxo-1-[1-(3-phenylpropanoyl)piperidin-4-yl]ethyl]benzamide
PubChem CID46019541
Molecular FormulaC28H37N3O5
Molecular Weight495.62 g/mol
Exact Mass495.27
IUPAC Name4-methoxy-N-[2-(3-methoxypropylamino)-2-oxo-1-[1-(3-phenylpropanoyl)piperidin-4-yl]ethyl]benzamide
SMILESCOCCCNC(=O)C(NC(=O)c1ccc(OC)cc1)C1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C28H37N3O5/c1-35-20-6-17-29-28(34)26(30-27(33)23-10-12-24(36-2)13-11-23)22-15-18-31(19-16-22)25(32)14-9-21-7-4-3-5-8-21/h3-5,7-8,10-13,22,26H,6,9,14-20H2,1-2H3,(H,29,34)(H,30,33)
InChIKeyGUKMARXIPSTMTK-UHFFFAOYSA-N
XLogP2.82
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.62
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-methoxy-N-[2-(3-methoxypropylamino)-2-oxo-1-[1-(3-phenylpropanoyl)piperidin-4-yl]ethyl]benzamide 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

N-[2-(butan-2-ylamino)-2-oxo-1-[1-(3-phenylpropanoyl)piperidin-4-yl]ethyl]-4-methoxybenzamide
CID 24719582
2-fluoro-N-[2-(3-methoxypropylamino)-2-oxo-1-[1-(3-phenylpropanoyl)piperidin-4-yl]ethyl]benzamide
CID 42840212
4-[(1S)-1-benzamido-2-(3-methoxypropylamino)-2-oxoethyl]-N-ethylpiperidine-1-carboxamide
CID 93183233
4-[(1S)-1-benzamido-2-(3-methoxypropylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 93183237
4-fluoro-N-[2-(2-methoxyethylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]benzamide
CID 46016071
N-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]-4-methylbenzamide
CID 46020533
N-[1-[1-(ethylcarbamothioyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-4-methoxybenzamide
CID 46020733
N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-4-methoxybenzamide
CID 46019487
N-[(1S)-2-oxo-1-[1-(3-phenylpropanoyl)piperidin-4-yl]-2-(propylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 93198661
4-methoxy-N-[(1S)-2-(3-methoxypropylamino)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]benzamide
CID 93200608
4-methoxy-N-[(1R)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]benzamide
CID 93197682
N-[(1S)-2-[[(2S)-butan-2-yl]amino]-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxoethyl]-4-methoxybenzamide
CID 93197583

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(3-methoxypropylamino)-2-oxo-1-[1-(3-phenylpropanoyl)piperidin-4-yl]ethyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-(3-methoxypropylamino)-2-oxo-1-[1-(3-phenylpropanoyl)piperidin-4-yl]ethyl]benzamide (CID 46019541) is 4-methoxy-N-[2-(3-methoxypropylamino)-2-oxo-1-[1-(3-phenylpropanoyl)piperidin-4-yl]ethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-(3-methoxypropylamino)-2-oxo-1-[1-(3-phenylpropanoyl)piperidin-4-yl]ethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-(3-methoxypropylamino)-2-oxo-1-[1-(3-phenylpropanoyl)piperidin-4-yl]ethyl]benzamide is COCCCNC(=O)C(NC(=O)c1ccc(OC)cc1)C1CCN(C(=O)CCc2ccccc2)CC1.
What is the InChIKey of 4-methoxy-N-[2-(3-methoxypropylamino)-2-oxo-1-[1-(3-phenylpropanoyl)piperidin-4-yl]ethyl]benzamide?
The InChIKey is GUKMARXIPSTMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O5/c1-35-20-6-17-29-28(34)26(30-27(33)23-10-12-24(36-2)13-11-23)22-15-18-31(19-16-22)25(32)14-9-21-7-4-3-5-8-21/h3-5,7-8,10-13,22,26H,6,9,14-20H2,1-2H3,(H,29,34)(H,30,33).
What are the key properties of 4-methoxy-N-[2-(3-methoxypropylamino)-2-oxo-1-[1-(3-phenylpropanoyl)piperidin-4-yl]ethyl]benzamide?
4-methoxy-N-[2-(3-methoxypropylamino)-2-oxo-1-[1-(3-phenylpropanoyl)piperidin-4-yl]ethyl]benzamide has a molecular weight of 495.62 g/mol, XLogP of 2.82, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(3-methoxypropylamino)-2-oxo-1-[1-(3-phenylpropanoyl)piperidin-4-yl]ethyl]benzamide is sourced from PubChem (CID 46019541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).