N,N-diethyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide

C25H32N4O3 — CID 54843436

IUPACN,N-diethyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CNc2cccc(C(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C25H32N4O3/c1-3-28(4-2)24(31)19-11-13-21(14-12-19)27-23(30)18-26-22-10-8-9-20(17-22)25(32)29-15-6-5-7-16-29/h8-14,17,26H,3-7,15-16,18H2,1-2H3,(H,27,30)
InChIKeyDOOYOMLQGWCVGD-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.85
Rot. Bonds8

About N,N-diethyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide

N,N-diethyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide (PubChem CID 54843436) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is N,N-diethyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
PubChem CID54843436
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC NameN,N-diethyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CNc2cccc(C(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C25H32N4O3/c1-3-28(4-2)24(31)19-11-13-21(14-12-19)27-23(30)18-26-22-10-8-9-20(17-22)25(32)29-15-6-5-7-16-29/h8-14,17,26H,3-7,15-16,18H2,1-2H3,(H,27,30)
InChIKeyDOOYOMLQGWCVGD-UHFFFAOYSA-N
XLogP3.85
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N,N-diethyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]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,N-diethyl-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54834336
N-methyl-N-phenyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54843314
N-[4-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54841208
N,N-dimethyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54840746
N-ethyl-3-[[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54837778
2-[3-(azepane-1-carbonyl)anilino]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54841463
N-[3-[[2-[3-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54833152
2-[3-(azepane-1-carbonyl)anilino]-N-(4-chlorophenyl)acetamide
CID 54841635
4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54843470
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841292
N-ethyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54838048
N-[4-(morpholine-4-carbonyl)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843375

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide?
The IUPAC name of N,N-diethyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide (CID 54843436) is N,N-diethyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide is CCN(CC)C(=O)c1ccc(NC(=O)CNc2cccc(C(=O)N3CCCCC3)c2)cc1.
What is the InChIKey of N,N-diethyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide?
The InChIKey is DOOYOMLQGWCVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-3-28(4-2)24(31)19-11-13-21(14-12-19)27-23(30)18-26-22-10-8-9-20(17-22)25(32)29-15-6-5-7-16-29/h8-14,17,26H,3-7,15-16,18H2,1-2H3,(H,27,30).
What are the key properties of N,N-diethyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide?
N,N-diethyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide has a molecular weight of 436.56 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54843436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).