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

C25H32N4O3 — CID 54834336

IUPACN,N-diethyl-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NCC(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C25H32N4O3/c1-3-28(4-2)24(31)19-8-12-21(13-9-19)26-18-23(30)27-22-14-10-20(11-15-22)25(32)29-16-6-5-7-17-29/h8-15,26H,3-7,16-18H2,1-2H3,(H,27,30)
InChIKeyKMMCCMVCWGDHLA-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.85
Rot. Bonds8

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

N,N-diethyl-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide (PubChem CID 54834336) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is N,N-diethyl-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
PubChem CID54834336
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC NameN,N-diethyl-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NCC(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C25H32N4O3/c1-3-28(4-2)24(31)19-8-12-21(13-9-19)26-18-23(30)27-22-14-10-20(11-15-22)25(32)29-16-6-5-7-17-29/h8-15,26H,3-7,16-18H2,1-2H3,(H,27,30)
InChIKeyKMMCCMVCWGDHLA-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

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Related Compounds

N,N-diethyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54843436
N-[4-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54836878
4-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54838199
2-[4-(azepane-1-carbonyl)anilino]-N,N-diethylacetamide
CID 54835140
N-(4-fluorophenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841618
2-[4-(azepane-1-carbonyl)anilino]-N-(4-bromophenyl)acetamide
CID 54834872
N-butyl-4-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54841477
N-(3,5-dimethylphenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841740
4-[[2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]-N,N-diethylbenzamide
CID 55896896
2-anilino-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119702402
2-(4-chloroanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54810281
N-[4-(azepane-1-carbonyl)phenyl]-2-(dimethylamino)acetamide
CID 54843928

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide?
The IUPAC name of N,N-diethyl-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide (CID 54834336) is N,N-diethyl-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide is CCN(CC)C(=O)c1ccc(NCC(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1.
What is the InChIKey of N,N-diethyl-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide?
The InChIKey is KMMCCMVCWGDHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-3-28(4-2)24(31)19-8-12-21(13-9-19)26-18-23(30)27-22-14-10-20(11-15-22)25(32)29-16-6-5-7-17-29/h8-15,26H,3-7,16-18H2,1-2H3,(H,27,30).
What are the key properties of N,N-diethyl-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide?
N,N-diethyl-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]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-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide is sourced from PubChem (CID 54834336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).