N-[2-(dimethylamino)-2-oxoethyl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide

C20H29N3O4 — CID 55378182

IUPACN-[2-(dimethylamino)-2-oxoethyl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide
SMILESCC1CCCC(C)N1C(=O)COc1ccc(C(=O)NCC(=O)N(C)C)cc1
InChIInChI=1S/C20H29N3O4/c1-14-6-5-7-15(2)23(14)19(25)13-27-17-10-8-16(9-11-17)20(26)21-12-18(24)22(3)4/h8-11,14-15H,5-7,12-13H2,1-4H3,(H,21,26)
InChIKeyFXFSIYREHVMZHO-UHFFFAOYSA-N
MW375.47 g/mol
LogP1.67
Rot. Bonds6

About N-[2-(dimethylamino)-2-oxoethyl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide

N-[2-(dimethylamino)-2-oxoethyl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide (PubChem CID 55378182) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide
PubChem CID55378182
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide
SMILESCC1CCCC(C)N1C(=O)COc1ccc(C(=O)NCC(=O)N(C)C)cc1
InChIInChI=1S/C20H29N3O4/c1-14-6-5-7-15(2)23(14)19(25)13-27-17-10-8-16(9-11-17)20(26)21-12-18(24)22(3)4/h8-11,14-15H,5-7,12-13H2,1-4H3,(H,21,26)
InChIKeyFXFSIYREHVMZHO-UHFFFAOYSA-N
XLogP1.67
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[4-[[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]amino]benzoyl]amino]acetate
CID 55396774
1-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]propan-1-one
CID 78760343
4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-N-pyridin-4-ylbenzamide
CID 25352382
N-[(2S)-1-aminopropan-2-yl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 120506249
N-[[(1R)-3,3-difluorocyclopentyl]methyl]-4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzamide
CID 100649511
N-[3-(aminomethyl)pentan-3-yl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 119569045
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methyl-N-piperidin-4-ylbenzamide
CID 119441548
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 769399
N-(2-aminophenyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 119421973
1-[[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]amino]-3-propan-2-ylthiourea
CID 42910897
3-[[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]-methylamino]-2-methylpropanoic acid
CID 119227757
1-[[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzoyl]amino]-3-propan-2-ylthiourea
CID 26839455

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide (CID 55378182) is N-[2-(dimethylamino)-2-oxoethyl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide is CC1CCCC(C)N1C(=O)COc1ccc(C(=O)NCC(=O)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide?
The InChIKey is FXFSIYREHVMZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-14-6-5-7-15(2)23(14)19(25)13-27-17-10-8-16(9-11-17)20(26)21-12-18(24)22(3)4/h8-11,14-15H,5-7,12-13H2,1-4H3,(H,21,26).
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide?
N-[2-(dimethylamino)-2-oxoethyl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide has a molecular weight of 375.47 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide is sourced from PubChem (CID 55378182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).