N-[(6-methylpiperidin-3-yl)methyl]-1,3-dihydro-2-benzofuran-5-carboxamide

C16H22N2O2 — CID 63733501

IUPACN-[(6-methylpiperidin-3-yl)methyl]-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESCC1CCC(CNC(=O)c2ccc3c(c2)COC3)CN1
InChIInChI=1S/C16H22N2O2/c1-11-2-3-12(7-17-11)8-18-16(19)13-4-5-14-9-20-10-15(14)6-13/h4-6,11-12,17H,2-3,7-10H2,1H3,(H,18,19)
InChIKeyFGZMSECEUOQNMW-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.83
Rot. Bonds3

About N-[(6-methylpiperidin-3-yl)methyl]-1,3-dihydro-2-benzofuran-5-carboxamide

N-[(6-methylpiperidin-3-yl)methyl]-1,3-dihydro-2-benzofuran-5-carboxamide (PubChem CID 63733501) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[(6-methylpiperidin-3-yl)methyl]-1,3-dihydro-2-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[(6-methylpiperidin-3-yl)methyl]-1,3-dihydro-2-benzofuran-5-carboxamide
PubChem CID63733501
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[(6-methylpiperidin-3-yl)methyl]-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESCC1CCC(CNC(=O)c2ccc3c(c2)COC3)CN1
InChIInChI=1S/C16H22N2O2/c1-11-2-3-12(7-17-11)8-18-16(19)13-4-5-14-9-20-10-15(14)6-13/h4-6,11-12,17H,2-3,7-10H2,1H3,(H,18,19)
InChIKeyFGZMSECEUOQNMW-UHFFFAOYSA-N
XLogP1.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[(6-methylpiperidin-3-yl)methyl]benzamide
CID 63007971
methyl 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)acetate
CID 49192128
2-hydroxy-N-[(6-methylpiperidin-3-yl)methyl]benzamide
CID 63008147
2,6-difluoro-N-[(6-methylpiperidin-3-yl)methyl]benzamide
CID 63008866
N-[[(1R)-2,2-difluorocyclopentyl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 164631263
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 103800446
2-methoxy-5-methyl-N-[(6-methylpiperidin-3-yl)methyl]benzamide
CID 63009230
N-(4-methylpiperidin-3-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 55231266
N-(2-chloroethyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63744532
N-[2-(propan-2-ylamino)ethyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63743519
methyl 3-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-hydroxypropanoate
CID 103958226
N-prop-2-enyl-1,3-dihydro-2-benzofuran-5-carboxamide
CID 49192019

Frequently Asked Questions

What is the IUPAC name of N-[(6-methylpiperidin-3-yl)methyl]-1,3-dihydro-2-benzofuran-5-carboxamide?
The IUPAC name of N-[(6-methylpiperidin-3-yl)methyl]-1,3-dihydro-2-benzofuran-5-carboxamide (CID 63733501) is N-[(6-methylpiperidin-3-yl)methyl]-1,3-dihydro-2-benzofuran-5-carboxamide.
What is the SMILES notation for N-[(6-methylpiperidin-3-yl)methyl]-1,3-dihydro-2-benzofuran-5-carboxamide?
The canonical SMILES for N-[(6-methylpiperidin-3-yl)methyl]-1,3-dihydro-2-benzofuran-5-carboxamide is CC1CCC(CNC(=O)c2ccc3c(c2)COC3)CN1.
What is the InChIKey of N-[(6-methylpiperidin-3-yl)methyl]-1,3-dihydro-2-benzofuran-5-carboxamide?
The InChIKey is FGZMSECEUOQNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11-2-3-12(7-17-11)8-18-16(19)13-4-5-14-9-20-10-15(14)6-13/h4-6,11-12,17H,2-3,7-10H2,1H3,(H,18,19).
What are the key properties of N-[(6-methylpiperidin-3-yl)methyl]-1,3-dihydro-2-benzofuran-5-carboxamide?
N-[(6-methylpiperidin-3-yl)methyl]-1,3-dihydro-2-benzofuran-5-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methylpiperidin-3-yl)methyl]-1,3-dihydro-2-benzofuran-5-carboxamide is sourced from PubChem (CID 63733501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).