N-[4-[4-(2,4-dimethoxybenzoyl)piperidin-1-yl]butyl]benzamide

C25H32N2O4 — CID 175293067

IUPACN-[4-[4-(2,4-dimethoxybenzoyl)piperidin-1-yl]butyl]benzamide
SMILESCOc1ccc(C(=O)C2CCN(CCCCNC(=O)c3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C25H32N2O4/c1-30-21-10-11-22(23(18-21)31-2)24(28)19-12-16-27(17-13-19)15-7-6-14-26-25(29)20-8-4-3-5-9-20/h3-5,8-11,18-19H,6-7,12-17H2,1-2H3,(H,26,29)
InChIKeyAXOCEAOHLDIUCV-UHFFFAOYSA-N
MW424.54 g/mol
LogP3.81
Rot. Bonds10

About N-[4-[4-(2,4-dimethoxybenzoyl)piperidin-1-yl]butyl]benzamide

N-[4-[4-(2,4-dimethoxybenzoyl)piperidin-1-yl]butyl]benzamide (PubChem CID 175293067) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is N-[4-[4-(2,4-dimethoxybenzoyl)piperidin-1-yl]butyl]benzamide.

Molecular Properties

Compound NameN-[4-[4-(2,4-dimethoxybenzoyl)piperidin-1-yl]butyl]benzamide
PubChem CID175293067
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC NameN-[4-[4-(2,4-dimethoxybenzoyl)piperidin-1-yl]butyl]benzamide
SMILESCOc1ccc(C(=O)C2CCN(CCCCNC(=O)c3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C25H32N2O4/c1-30-21-10-11-22(23(18-21)31-2)24(28)19-12-16-27(17-13-19)15-7-6-14-26-25(29)20-8-4-3-5-9-20/h3-5,8-11,18-19H,6-7,12-17H2,1-2H3,(H,26,29)
InChIKeyAXOCEAOHLDIUCV-UHFFFAOYSA-N
XLogP3.81
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[4-(2,4-dimethoxybenzoyl)piperidin-1-yl]butyl]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

(2R)-N-(3-benzamidopropyl)-1-(2,4-dimethoxybenzoyl)pyrrolidine-2-carboxamide
CID 42878811
N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]-3-methoxybenzamide
CID 22322400
N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide
CID 3517424
N-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide
CID 4051354
3-methoxy-N-[5-(4-methylpiperazin-1-yl)pentyl]benzamide
CID 110441580
3-(2,4-dimethoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)butyl]-1-phenylpyrazole-4-carboxamide
CID 55724250
4-(3-methoxyphenoxy)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
CID 118462134
N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-4-(2-methylphenyl)benzamide
CID 45484368
2-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methoxybenzamide
CID 111429422
N-[3-(4-aminopiperidin-1-yl)propyl]benzamide
CID 118533812
N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110442914
2,4-dimethoxy-N-(3-phenoxypropyl)benzamide
CID 51256264

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,4-dimethoxybenzoyl)piperidin-1-yl]butyl]benzamide?
The IUPAC name of N-[4-[4-(2,4-dimethoxybenzoyl)piperidin-1-yl]butyl]benzamide (CID 175293067) is N-[4-[4-(2,4-dimethoxybenzoyl)piperidin-1-yl]butyl]benzamide.
What is the SMILES notation for N-[4-[4-(2,4-dimethoxybenzoyl)piperidin-1-yl]butyl]benzamide?
The canonical SMILES for N-[4-[4-(2,4-dimethoxybenzoyl)piperidin-1-yl]butyl]benzamide is COc1ccc(C(=O)C2CCN(CCCCNC(=O)c3ccccc3)CC2)c(OC)c1.
What is the InChIKey of N-[4-[4-(2,4-dimethoxybenzoyl)piperidin-1-yl]butyl]benzamide?
The InChIKey is AXOCEAOHLDIUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-30-21-10-11-22(23(18-21)31-2)24(28)19-12-16-27(17-13-19)15-7-6-14-26-25(29)20-8-4-3-5-9-20/h3-5,8-11,18-19H,6-7,12-17H2,1-2H3,(H,26,29).
What are the key properties of N-[4-[4-(2,4-dimethoxybenzoyl)piperidin-1-yl]butyl]benzamide?
N-[4-[4-(2,4-dimethoxybenzoyl)piperidin-1-yl]butyl]benzamide has a molecular weight of 424.54 g/mol, XLogP of 3.81, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2,4-dimethoxybenzoyl)piperidin-1-yl]butyl]benzamide is sourced from PubChem (CID 175293067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).