N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide

C20H23N3O2 — CID 87020213

IUPACN-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(NC1CCN(Cc2ccccn2)CC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C20H23N3O2/c24-20(16-4-5-19-15(13-16)8-12-25-19)22-17-6-10-23(11-7-17)14-18-3-1-2-9-21-18/h1-5,9,13,17H,6-8,10-12,14H2,(H,22,24)
InChIKeyQODAYZBOYXTATO-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.41
Rot. Bonds4

About N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide

N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 87020213) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID87020213
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(NC1CCN(Cc2ccccn2)CC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C20H23N3O2/c24-20(16-4-5-19-15(13-16)8-12-25-19)22-17-6-10-23(11-7-17)14-18-3-1-2-9-21-18/h1-5,9,13,17H,6-8,10-12,14H2,(H,22,24)
InChIKeyQODAYZBOYXTATO-UHFFFAOYSA-N
XLogP2.41
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 122132422
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 75428219
N-(oxan-4-yl)-15-(pyridin-2-ylmethyl)-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene-5-carboxamide
CID 110072596
N-(1-methylpiperidin-4-yl)-15-(pyridin-2-ylmethyl)-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene-5-carboxamide
CID 110072597
N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 71942700
[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride
CID 174440638
4-(difluoromethoxy)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 47058915
4-(4-methylpiperidin-1-yl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 46977137
4-(diethylsulfamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55859491
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
N-(4-chlorocyclohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 114296800
4-propan-2-ylsulfonyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55858737

Frequently Asked Questions

What is the IUPAC name of N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide (CID 87020213) is N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide is O=C(NC1CCN(Cc2ccccn2)CC1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is QODAYZBOYXTATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-20(16-4-5-19-15(13-16)8-12-25-19)22-17-6-10-23(11-7-17)14-18-3-1-2-9-21-18/h1-5,9,13,17H,6-8,10-12,14H2,(H,22,24).
What are the key properties of N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide?
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 87020213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).