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

C28H30N4O3 — CID 54843314

IUPACN-methyl-N-phenyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
SMILESCN(C(=O)c1ccc(NC(=O)CNc2cccc(C(=O)N3CCCCC3)c2)cc1)c1ccccc1
InChIInChI=1S/C28H30N4O3/c1-31(25-11-4-2-5-12-25)27(34)21-13-15-23(16-14-21)30-26(33)20-29-24-10-8-9-22(19-24)28(35)32-17-6-3-7-18-32/h2,4-5,8-16,19,29H,3,6-7,17-18,20H2,1H3,(H,30,33)
InChIKeyUXEWMWUUICMDPT-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.64
Rot. Bonds7

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

N-methyl-N-phenyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide (PubChem CID 54843314) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is N-methyl-N-phenyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
PubChem CID54843314
Molecular FormulaC28H30N4O3
Molecular Weight470.57 g/mol
Exact Mass470.23
IUPAC NameN-methyl-N-phenyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
SMILESCN(C(=O)c1ccc(NC(=O)CNc2cccc(C(=O)N3CCCCC3)c2)cc1)c1ccccc1
InChIInChI=1S/C28H30N4O3/c1-31(25-11-4-2-5-12-25)27(34)21-13-15-23(16-14-21)30-26(33)20-29-24-10-8-9-22(19-24)28(35)32-17-6-3-7-18-32/h2,4-5,8-16,19,29H,3,6-7,17-18,20H2,1H3,(H,30,33)
InChIKeyUXEWMWUUICMDPT-UHFFFAOYSA-N
XLogP4.64
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54838199
N,N-diethyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54843436
N,N-dimethyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54840746
N-benzyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54843316
N-[4-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54841208
2-[3-(azepane-1-carbonyl)anilino]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54841463
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-[4-(morpholine-4-carbonyl)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843375
N-benzyl-N-methyl-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54841183
2-(4-acetamidoanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54809150

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide?
The IUPAC name of N-methyl-N-phenyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide (CID 54843314) is N-methyl-N-phenyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-methyl-N-phenyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide?
The canonical SMILES for N-methyl-N-phenyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide is CN(C(=O)c1ccc(NC(=O)CNc2cccc(C(=O)N3CCCCC3)c2)cc1)c1ccccc1.
What is the InChIKey of N-methyl-N-phenyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide?
The InChIKey is UXEWMWUUICMDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3/c1-31(25-11-4-2-5-12-25)27(34)21-13-15-23(16-14-21)30-26(33)20-29-24-10-8-9-22(19-24)28(35)32-17-6-3-7-18-32/h2,4-5,8-16,19,29H,3,6-7,17-18,20H2,1H3,(H,30,33).
What are the key properties of N-methyl-N-phenyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide?
N-methyl-N-phenyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide has a molecular weight of 470.57 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54843314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).