N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2,3-dimethylanilino)benzamide

C22H28N4O2 — CID 134047765

IUPACN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2,3-dimethylanilino)benzamide
SMILESCc1cccc(Nc2ccccc2C(=O)NC2CCN(CC(N)=O)CC2)c1C
InChIInChI=1S/C22H28N4O2/c1-15-6-5-9-19(16(15)2)25-20-8-4-3-7-18(20)22(28)24-17-10-12-26(13-11-17)14-21(23)27/h3-9,17,25H,10-14H2,1-2H3,(H2,23,27)(H,24,28)
InChIKeyHDXPDHYDKSWWLS-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.73
Rot. Bonds6

About N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2,3-dimethylanilino)benzamide

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2,3-dimethylanilino)benzamide (PubChem CID 134047765) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2,3-dimethylanilino)benzamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2,3-dimethylanilino)benzamide
PubChem CID134047765
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2,3-dimethylanilino)benzamide
SMILESCc1cccc(Nc2ccccc2C(=O)NC2CCN(CC(N)=O)CC2)c1C
InChIInChI=1S/C22H28N4O2/c1-15-6-5-9-19(16(15)2)25-20-8-4-3-7-18(20)22(28)24-17-10-12-26(13-11-17)14-21(23)27/h3-9,17,25H,10-14H2,1-2H3,(H2,23,27)(H,24,28)
InChIKeyHDXPDHYDKSWWLS-UHFFFAOYSA-N
XLogP2.73
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-fluoro-3-methylbenzamide
CID 80710716
3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-methylbenzamide
CID 61140963
[2-(cyclopropylamino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate
CID 2568997
1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide
CID 8530807
2-anilino-N-(1-benzylpiperidin-4-yl)benzamide
CID 27673255
N-[1-[2-(dicyclopropylmethylamino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide
CID 87017011
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,3-dimethylphenoxy)propanamide
CID 86985236
2-[4-[[2-(2,6-dimethylphenoxy)acetyl]amino]piperidin-1-yl]acetamide
CID 134047526
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-pyrazole-4-carboxamide
CID 63999078
[4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(2,3-dimethylanilino)phenyl]methanone
CID 119625088
N-[1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide
CID 3220803
ethyl 4-[[6-(2,3-dimethylanilino)pyridazine-3-carbonyl]amino]piperidine-1-carboxylate
CID 109123786

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2,3-dimethylanilino)benzamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2,3-dimethylanilino)benzamide (CID 134047765) is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2,3-dimethylanilino)benzamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2,3-dimethylanilino)benzamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2,3-dimethylanilino)benzamide is Cc1cccc(Nc2ccccc2C(=O)NC2CCN(CC(N)=O)CC2)c1C.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2,3-dimethylanilino)benzamide?
The InChIKey is HDXPDHYDKSWWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-15-6-5-9-19(16(15)2)25-20-8-4-3-7-18(20)22(28)24-17-10-12-26(13-11-17)14-21(23)27/h3-9,17,25H,10-14H2,1-2H3,(H2,23,27)(H,24,28).
What are the key properties of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2,3-dimethylanilino)benzamide?
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2,3-dimethylanilino)benzamide has a molecular weight of 380.49 g/mol, XLogP of 2.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2,3-dimethylanilino)benzamide is sourced from PubChem (CID 134047765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).