N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide

C21H24N2O3 — CID 131890028

IUPACN-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCN1CCC(Oc2ccc(NC(=O)c3ccc4c(c3)CCO4)cc2)CC1
InChIInChI=1S/C21H24N2O3/c1-23-11-8-19(9-12-23)26-18-5-3-17(4-6-18)22-21(24)16-2-7-20-15(14-16)10-13-25-20/h2-7,14,19H,8-13H2,1H3,(H,22,24)
InChIKeyNLYSVJCPBOHVIK-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.35
Rot. Bonds4

About N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide

N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 131890028) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID131890028
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCN1CCC(Oc2ccc(NC(=O)c3ccc4c(c3)CCO4)cc2)CC1
InChIInChI=1S/C21H24N2O3/c1-23-11-8-19(9-12-23)26-18-5-3-17(4-6-18)22-21(24)16-2-7-20-15(14-16)10-13-25-20/h2-7,14,19H,8-13H2,1H3,(H,22,24)
InChIKeyNLYSVJCPBOHVIK-UHFFFAOYSA-N
XLogP3.35
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
CID 171152518
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55663526
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinoxaline-6-carboxamide
CID 131913221
N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-phenylbenzamide
CID 118063757
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 46581814
4-[dimethylsulfamoyl(methyl)amino]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
CID 53278475
1-[4-(2,3-dihydro-1-benzofuran-5-carbonylamino)benzoyl]piperidine-4-carboxylic acid
CID 167849672
butyl 4-(2,3-dihydro-1-benzofuran-5-carbonylamino)benzoate
CID 46586124
N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]quinoline-6-carboxamide
CID 118063587
4-methoxy-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-prop-2-enylbenzamide
CID 56700231
N-[4-(aminomethyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 62198465
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-4-(piperidin-1-ylmethyl)benzamide
CID 53277962

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide (CID 131890028) is N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide is CN1CCC(Oc2ccc(NC(=O)c3ccc4c(c3)CCO4)cc2)CC1.
What is the InChIKey of N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is NLYSVJCPBOHVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-23-11-8-19(9-12-23)26-18-5-3-17(4-6-18)22-21(24)16-2-7-20-15(14-16)10-13-25-20/h2-7,14,19H,8-13H2,1H3,(H,22,24).
What are the key properties of N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 131890028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).