2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4,5-dimethoxybenzamide

C18H27N3O4 — CID 94811360

IUPAC2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4,5-dimethoxybenzamide
SMILESCOc1cc(NCC(=O)N2[C@H](C)CCC[C@H]2C)c(C(N)=O)cc1OC
InChIInChI=1S/C18H27N3O4/c1-11-6-5-7-12(2)21(11)17(22)10-20-14-9-16(25-4)15(24-3)8-13(14)18(19)23/h8-9,11-12,20H,5-7,10H2,1-4H3,(H2,19,23)/t11-,12-/m1/s1
InChIKeyTUIYFALPFNJVTP-VXGBXAGGSA-N
MW349.43 g/mol
LogP2.00
Rot. Bonds6

About 2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4,5-dimethoxybenzamide

2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4,5-dimethoxybenzamide (PubChem CID 94811360) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4,5-dimethoxybenzamide.

Molecular Properties

Compound Name2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4,5-dimethoxybenzamide
PubChem CID94811360
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4,5-dimethoxybenzamide
SMILESCOc1cc(NCC(=O)N2[C@H](C)CCC[C@H]2C)c(C(N)=O)cc1OC
InChIInChI=1S/C18H27N3O4/c1-11-6-5-7-12(2)21(11)17(22)10-20-14-9-16(25-4)15(24-3)8-13(14)18(19)23/h8-9,11-12,20H,5-7,10H2,1-4H3,(H2,19,23)/t11-,12-/m1/s1
InChIKeyTUIYFALPFNJVTP-VXGBXAGGSA-N
XLogP2.00
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4,5-dimethoxybenzamide?
The IUPAC name of 2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4,5-dimethoxybenzamide (CID 94811360) is 2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4,5-dimethoxybenzamide.
What is the SMILES notation for 2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4,5-dimethoxybenzamide?
The canonical SMILES for 2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4,5-dimethoxybenzamide is COc1cc(NCC(=O)N2[C@H](C)CCC[C@H]2C)c(C(N)=O)cc1OC.
What is the InChIKey of 2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4,5-dimethoxybenzamide?
The InChIKey is TUIYFALPFNJVTP-VXGBXAGGSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-11-6-5-7-12(2)21(11)17(22)10-20-14-9-16(25-4)15(24-3)8-13(14)18(19)23/h8-9,11-12,20H,5-7,10H2,1-4H3,(H2,19,23)/t11-,12-/m1/s1.
What are the key properties of 2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4,5-dimethoxybenzamide?
2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4,5-dimethoxybenzamide has a molecular weight of 349.43 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4,5-dimethoxybenzamide is sourced from PubChem (CID 94811360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).