2-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]piperidin-1-yl]-N-methylacetamide

C19H29N3O2 — CID 119121844

IUPAC2-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(NCc2ccc3c(c2)CC(C)(C)O3)CC1
InChIInChI=1S/C19H29N3O2/c1-19(2)11-15-10-14(4-5-17(15)24-19)12-21-16-6-8-22(9-7-16)13-18(23)20-3/h4-5,10,16,21H,6-9,11-13H2,1-3H3,(H,20,23)
InChIKeyKULDITLASRAUKK-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.70
Rot. Bonds5

About 2-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]piperidin-1-yl]-N-methylacetamide

2-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]piperidin-1-yl]-N-methylacetamide (PubChem CID 119121844) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]piperidin-1-yl]-N-methylacetamide
PubChem CID119121844
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(NCc2ccc3c(c2)CC(C)(C)O3)CC1
InChIInChI=1S/C19H29N3O2/c1-19(2)11-15-10-14(4-5-17(15)24-19)12-21-16-6-8-22(9-7-16)13-18(23)20-3/h4-5,10,16,21H,6-9,11-13H2,1-3H3,(H,20,23)
InChIKeyKULDITLASRAUKK-UHFFFAOYSA-N
XLogP1.70
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-ethylpiperidin-4-amine
CID 63271340
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-(2-methylsulfonylethyl)piperidin-4-amine
CID 119127897
2-[4-[(4-bromo-3-methylphenyl)methylamino]piperidin-1-yl]-N-methylacetamide
CID 66472599
2-[4-(benzylamino)piperidin-1-yl]-N-methylacetamide
CID 38056640
2-[4-(furan-3-ylmethylamino)piperidin-1-yl]-N-methylacetamide
CID 63001894
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]oxolan-3-amine
CID 80717280
N-cyclohexyl-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]acetamide
CID 119129103
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64743242
2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-N-methylpropanamide
CID 63270938
1-[(3R,4S)-4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-3-methylpiperidin-1-yl]ethanone
CID 97093546
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-methoxycyclobutan-1-amine
CID 104587767
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 63270711

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]piperidin-1-yl]-N-methylacetamide (CID 119121844) is 2-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]piperidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCC(NCc2ccc3c(c2)CC(C)(C)O3)CC1.
What is the InChIKey of 2-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]piperidin-1-yl]-N-methylacetamide?
The InChIKey is KULDITLASRAUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-19(2)11-15-10-14(4-5-17(15)24-19)12-21-16-6-8-22(9-7-16)13-18(23)20-3/h4-5,10,16,21H,6-9,11-13H2,1-3H3,(H,20,23).
What are the key properties of 2-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]piperidin-1-yl]-N-methylacetamide?
2-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]piperidin-1-yl]-N-methylacetamide has a molecular weight of 331.46 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 119121844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).