2-[4-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]piperidin-1-yl]-N-methylacetamide

C19H29N3O3 — CID 38056880

IUPAC2-[4-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(NCc2cc3c(cc2OC)C[C@H](C)O3)CC1
InChIInChI=1S/C19H29N3O3/c1-13-8-14-9-17(24-3)15(10-18(14)25-13)11-21-16-4-6-22(7-5-16)12-19(23)20-2/h9-10,13,16,21H,4-8,11-12H2,1-3H3,(H,20,23)/t13-/m0/s1
InChIKeyCQQCNDYRPVSYSG-ZDUSSCGKSA-N
MW347.46 g/mol
LogP1.32
Rot. Bonds6

About 2-[4-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]piperidin-1-yl]-N-methylacetamide

2-[4-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]piperidin-1-yl]-N-methylacetamide (PubChem CID 38056880) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[4-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]piperidin-1-yl]-N-methylacetamide
PubChem CID38056880
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name2-[4-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(NCc2cc3c(cc2OC)C[C@H](C)O3)CC1
InChIInChI=1S/C19H29N3O3/c1-13-8-14-9-17(24-3)15(10-18(14)25-13)11-21-16-4-6-22(7-5-16)12-19(23)20-2/h9-10,13,16,21H,4-8,11-12H2,1-3H3,(H,20,23)/t13-/m0/s1
InChIKeyCQQCNDYRPVSYSG-ZDUSSCGKSA-N
XLogP1.32
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]piperidin-1-yl]-N-methylacetamide (CID 38056880) is 2-[4-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]piperidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCC(NCc2cc3c(cc2OC)C[C@H](C)O3)CC1.
What is the InChIKey of 2-[4-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]piperidin-1-yl]-N-methylacetamide?
The InChIKey is CQQCNDYRPVSYSG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-13-8-14-9-17(24-3)15(10-18(14)25-13)11-21-16-4-6-22(7-5-16)12-19(23)20-2/h9-10,13,16,21H,4-8,11-12H2,1-3H3,(H,20,23)/t13-/m0/s1.
What are the key properties of 2-[4-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]piperidin-1-yl]-N-methylacetamide?
2-[4-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]piperidin-1-yl]-N-methylacetamide has a molecular weight of 347.46 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 38056880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).