2-[[2-(4-ethylanilino)-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide

C22H28N4O2 — CID 18275278

IUPAC2-[[2-(4-ethylanilino)-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide
SMILESCCc1ccc(NC(=O)CNc2ccc(N3CCCCC3)cc2C(N)=O)cc1
InChIInChI=1S/C22H28N4O2/c1-2-16-6-8-17(9-7-16)25-21(27)15-24-20-11-10-18(14-19(20)22(23)28)26-12-4-3-5-13-26/h6-11,14,24H,2-5,12-13,15H2,1H3,(H2,23,28)(H,25,27)
InChIKeyYDCNRCROVIOCTO-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.39
Rot. Bonds7

About 2-[[2-(4-ethylanilino)-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide

2-[[2-(4-ethylanilino)-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide (PubChem CID 18275278) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-[[2-(4-ethylanilino)-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name2-[[2-(4-ethylanilino)-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide
PubChem CID18275278
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name2-[[2-(4-ethylanilino)-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide
SMILESCCc1ccc(NC(=O)CNc2ccc(N3CCCCC3)cc2C(N)=O)cc1
InChIInChI=1S/C22H28N4O2/c1-2-16-6-8-17(9-7-16)25-21(27)15-24-20-11-10-18(14-19(20)22(23)28)26-12-4-3-5-13-26/h6-11,14,24H,2-5,12-13,15H2,1H3,(H2,23,28)(H,25,27)
InChIKeyYDCNRCROVIOCTO-UHFFFAOYSA-N
XLogP3.39
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-ethylanilino)-2-oxoethyl]amino]benzamide
CID 16606561
2-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide
CID 86916369
2-[[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide
CID 18272466
2-(2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 37480616
2-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide
CID 18278896
methyl 2-[[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]amino]benzoate
CID 55434513
2-(2-bromo-4-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 33163479
2-(2-acetamido-5-chloroanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 60603019
N-(4-ethylphenyl)-4-piperidin-1-ylbenzamide
CID 53282362
N-(4-ethylphenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
CID 7939475
N-[4-(azepan-1-yl)phenyl]-2-(4-methylphenyl)acetamide
CID 112985752
N-(4-ethylphenyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204642

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-ethylanilino)-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide?
The IUPAC name of 2-[[2-(4-ethylanilino)-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide (CID 18275278) is 2-[[2-(4-ethylanilino)-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide.
What is the SMILES notation for 2-[[2-(4-ethylanilino)-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide?
The canonical SMILES for 2-[[2-(4-ethylanilino)-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide is CCc1ccc(NC(=O)CNc2ccc(N3CCCCC3)cc2C(N)=O)cc1.
What is the InChIKey of 2-[[2-(4-ethylanilino)-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide?
The InChIKey is YDCNRCROVIOCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-2-16-6-8-17(9-7-16)25-21(27)15-24-20-11-10-18(14-19(20)22(23)28)26-12-4-3-5-13-26/h6-11,14,24H,2-5,12-13,15H2,1H3,(H2,23,28)(H,25,27).
What are the key properties of 2-[[2-(4-ethylanilino)-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide?
2-[[2-(4-ethylanilino)-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide has a molecular weight of 380.49 g/mol, XLogP of 3.39, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-ethylanilino)-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide is sourced from PubChem (CID 18275278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).