N-methyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide

C22H26N4O3 — CID 54839676

IUPACN-methyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
SMILESCNC(=O)c1cccc(NCC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C22H26N4O3/c1-23-21(28)16-7-5-9-18(13-16)24-15-20(27)25-19-10-6-8-17(14-19)22(29)26-11-3-2-4-12-26/h5-10,13-14,24H,2-4,11-12,15H2,1H3,(H,23,28)(H,25,27)
InChIKeyPSPMOJQIVCPBGV-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.72
Rot. Bonds6

About N-methyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide

N-methyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide (PubChem CID 54839676) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-methyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
PubChem CID54839676
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-methyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
SMILESCNC(=O)c1cccc(NCC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C22H26N4O3/c1-23-21(28)16-7-5-9-18(13-16)24-15-20(27)25-19-10-6-8-17(14-19)22(29)26-11-3-2-4-12-26/h5-10,13-14,24H,2-4,11-12,15H2,1H3,(H,23,28)(H,25,27)
InChIKeyPSPMOJQIVCPBGV-UHFFFAOYSA-N
XLogP2.72
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833646
3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54843467
N-ethyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54838048
N-(3-acetamidophenyl)-2-[3-(azepane-1-carbonyl)anilino]acetamide
CID 54841554
3-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833558
N-[3-[[2-[3-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54833152
N-[4-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]phenyl]-3-methylbenzamide
CID 54841798
N-(1-phenylethyl)-3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54843624
2,2-dimethyl-N-[3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]phenyl]propanamide
CID 54835732
N-[3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]benzamide
CID 54841067
2-(methylamino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119740126
2-methyl-N-[3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54843283

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide?
The IUPAC name of N-methyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide (CID 54839676) is N-methyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide.
What is the SMILES notation for N-methyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide?
The canonical SMILES for N-methyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide is CNC(=O)c1cccc(NCC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)c1.
What is the InChIKey of N-methyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide?
The InChIKey is PSPMOJQIVCPBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-23-21(28)16-7-5-9-18(13-16)24-15-20(27)25-19-10-6-8-17(14-19)22(29)26-11-3-2-4-12-26/h5-10,13-14,24H,2-4,11-12,15H2,1H3,(H,23,28)(H,25,27).
What are the key properties of N-methyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide?
N-methyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide has a molecular weight of 394.48 g/mol, XLogP of 2.72, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide is sourced from PubChem (CID 54839676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).