1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]piperidine-4-carboxamide

C17H24N2O2 — CID 126794663

IUPAC1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]piperidine-4-carboxamide
SMILESCC1(C)Cc2cc(CN3CCC(C(N)=O)CC3)ccc2O1
InChIInChI=1S/C17H24N2O2/c1-17(2)10-14-9-12(3-4-15(14)21-17)11-19-7-5-13(6-8-19)16(18)20/h3-4,9,13H,5-8,10-11H2,1-2H3,(H2,18,20)
InChIKeyLEGPDMHMZGXAKS-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.10
Rot. Bonds3

About 1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]piperidine-4-carboxamide

1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 126794663) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]piperidine-4-carboxamide
PubChem CID126794663
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]piperidine-4-carboxamide
SMILESCC1(C)Cc2cc(CN3CCC(C(N)=O)CC3)ccc2O1
InChIInChI=1S/C17H24N2O2/c1-17(2)10-14-9-12(3-4-15(14)21-17)11-19-7-5-13(6-8-19)16(18)20/h3-4,9,13H,5-8,10-11H2,1-2H3,(H2,18,20)
InChIKeyLEGPDMHMZGXAKS-UHFFFAOYSA-N
XLogP2.10
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-N,N-dimethylazepan-4-amine
CID 56916128
(4R)-1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-N,N-dimethylazepan-4-amine
CID 95729180
1-[(3R)-1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]pyrrolidin-3-yl]-4-ethylpiperazine
CID 97159105
8-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol
CID 74234956
(3aS,6aS)-5-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
CID 70746185
4-[1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]piperidin-4-yl]-5-methylpyrimidine
CID 74236987
1-[(4-aminophenyl)methyl]piperidine-4-carboxamide
CID 16788434
2-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]piperidin-1-yl]-N-methylacetamide
CID 119121844
1-[(3-amino-4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 43169014
1-[(4-bromophenyl)methyl]piperidine-4-carboxamide
CID 783332
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-ethylpiperidin-4-amine
CID 63271340
1-cyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]pyrrole-2-carboxamide
CID 118775296

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]piperidine-4-carboxamide (CID 126794663) is 1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]piperidine-4-carboxamide is CC1(C)Cc2cc(CN3CCC(C(N)=O)CC3)ccc2O1.
What is the InChIKey of 1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]piperidine-4-carboxamide?
The InChIKey is LEGPDMHMZGXAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-17(2)10-14-9-12(3-4-15(14)21-17)11-19-7-5-13(6-8-19)16(18)20/h3-4,9,13H,5-8,10-11H2,1-2H3,(H2,18,20).
What are the key properties of 1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]piperidine-4-carboxamide?
1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 126794663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).