N-(1-benzofuran-2-ylmethyl)-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

C21H23N3O2 — CID 126777983

IUPACN-(1-benzofuran-2-ylmethyl)-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccc(N2CCC(C(=O)NCc3cc4ccccc4o3)CC2)nc1
InChIInChI=1S/C21H23N3O2/c1-15-6-7-20(22-13-15)24-10-8-16(9-11-24)21(25)23-14-18-12-17-4-2-3-5-19(17)26-18/h2-7,12-13,16H,8-11,14H2,1H3,(H,23,25)
InChIKeyFQUDCHXIJVZMKP-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.67
Rot. Bonds4

About N-(1-benzofuran-2-ylmethyl)-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

N-(1-benzofuran-2-ylmethyl)-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 126777983) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID126777983
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-(1-benzofuran-2-ylmethyl)-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccc(N2CCC(C(=O)NCc3cc4ccccc4o3)CC2)nc1
InChIInChI=1S/C21H23N3O2/c1-15-6-7-20(22-13-15)24-10-8-16(9-11-24)21(25)23-14-18-12-17-4-2-3-5-19(17)26-18/h2-7,12-13,16H,8-11,14H2,1H3,(H,23,25)
InChIKeyFQUDCHXIJVZMKP-UHFFFAOYSA-N
XLogP3.67
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzofuran-2-ylmethyl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 87001291
1-(5-methyl-2-pyridinyl)-N-(2H-triazol-4-ylmethyl)piperidine-4-carboxamide
CID 75494567
N-[(5-methyl-1-benzofuran-2-yl)methyl]cyclohexanecarboxamide
CID 166158839
N-(2-hydroxy-2-propylpentyl)-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 111485089
1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]ethanone
CID 63845665
N-(1-benzofuran-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
CID 119111019
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 9367840
N-[3-(hydroxymethyl)phenyl]-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 110910842
2-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]propan-1-one
CID 155710623
N-(1-benzofuran-2-ylmethyl)-3-methylquinoxaline-2-carboxamide
CID 140966924
N-[(4-methylphenyl)methyl]-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-4-carboxamide
CID 133356293
1-(1,3-benzoxazol-2-yl)-N-[[2-(methoxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 32605823

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 126777983) is N-(1-benzofuran-2-ylmethyl)-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is Cc1ccc(N2CCC(C(=O)NCc3cc4ccccc4o3)CC2)nc1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is FQUDCHXIJVZMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15-6-7-20(22-13-15)24-10-8-16(9-11-24)21(25)23-14-18-12-17-4-2-3-5-19(17)26-18/h2-7,12-13,16H,8-11,14H2,1H3,(H,23,25).
What are the key properties of N-(1-benzofuran-2-ylmethyl)-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
N-(1-benzofuran-2-ylmethyl)-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 126777983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).