4-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]amino]-3-methylbenzamide

C17H25N3O2 — CID 167851880

IUPAC4-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]amino]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1NCC(=O)N1C(C)CCCC1C
InChIInChI=1S/C17H25N3O2/c1-11-9-14(17(18)22)7-8-15(11)19-10-16(21)20-12(2)5-4-6-13(20)3/h7-9,12-13,19H,4-6,10H2,1-3H3,(H2,18,22)
InChIKeyGJOHMKOZCXYSAM-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.30
Rot. Bonds4

About 4-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]amino]-3-methylbenzamide

4-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]amino]-3-methylbenzamide (PubChem CID 167851880) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]amino]-3-methylbenzamide.

Molecular Properties

Compound Name4-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]amino]-3-methylbenzamide
PubChem CID167851880
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name4-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]amino]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1NCC(=O)N1C(C)CCCC1C
InChIInChI=1S/C17H25N3O2/c1-11-9-14(17(18)22)7-8-15(11)19-10-16(21)20-12(2)5-4-6-13(20)3/h7-9,12-13,19H,4-6,10H2,1-3H3,(H2,18,22)
InChIKeyGJOHMKOZCXYSAM-UHFFFAOYSA-N
XLogP2.30
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2-dimethylpropylamino)-3-methylbenzamide
CID 61324735
N-[2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4-methylphenyl]acetamide
CID 95255682
2-[[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4,5-dimethoxybenzamide
CID 94811357
2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4,5-dimethoxybenzamide
CID 94811360
2-(4-acetylanilino)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone
CID 95152526
3-methyl-4-[(1-methylpiperidin-2-yl)methylamino]benzamide
CID 62656714
3-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 62656715
N-[2-[[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4,5-difluorophenyl]acetamide
CID 95275158
N-[5-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]amino]-2,4-difluorophenyl]acetamide
CID 71936733
1-(azocan-1-yl)-2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]ethanone
CID 71934936
3-methyl-4-(oxolan-3-ylmethylamino)benzamide
CID 43706987
4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-methylbenzamide
CID 81413360

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]amino]-3-methylbenzamide?
The IUPAC name of 4-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]amino]-3-methylbenzamide (CID 167851880) is 4-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]amino]-3-methylbenzamide.
What is the SMILES notation for 4-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]amino]-3-methylbenzamide?
The canonical SMILES for 4-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]amino]-3-methylbenzamide is Cc1cc(C(N)=O)ccc1NCC(=O)N1C(C)CCCC1C.
What is the InChIKey of 4-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]amino]-3-methylbenzamide?
The InChIKey is GJOHMKOZCXYSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-11-9-14(17(18)22)7-8-15(11)19-10-16(21)20-12(2)5-4-6-13(20)3/h7-9,12-13,19H,4-6,10H2,1-3H3,(H2,18,22).
What are the key properties of 4-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]amino]-3-methylbenzamide?
4-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]amino]-3-methylbenzamide has a molecular weight of 303.41 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]amino]-3-methylbenzamide is sourced from PubChem (CID 167851880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).