1-(2,3-dihydro-1-benzofuran-5-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

C21H23N3O3 — CID 87007164

IUPAC1-(2,3-dihydro-1-benzofuran-5-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)c3ccc4c(c3)CCO4)CC2)nc1
InChIInChI=1S/C21H23N3O3/c1-14-2-5-19(22-13-14)23-20(25)15-6-9-24(10-7-15)21(26)17-3-4-18-16(12-17)8-11-27-18/h2-5,12-13,15H,6-11H2,1H3,(H,22,23,25)
InChIKeyGVYHXGNGGOAGNM-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.82
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-5-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

1-(2,3-dihydro-1-benzofuran-5-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 87007164) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID87007164
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)c3ccc4c(c3)CCO4)CC2)nc1
InChIInChI=1S/C21H23N3O3/c1-14-2-5-19(22-13-14)23-20(25)15-6-9-24(10-7-15)21(26)17-3-4-18-16(12-17)8-11-27-18/h2-5,12-13,15H,6-11H2,1H3,(H,22,23,25)
InChIKeyGVYHXGNGGOAGNM-UHFFFAOYSA-N
XLogP2.82
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 86925189
1-(4-chlorobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 24980605
N-(5-methyl-2-pyridinyl)-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxamide
CID 55810049
2,3-dihydro-1-benzofuran-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone
CID 86985261
2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-1-yl)methanone
CID 60739558
1-(5-amino-2-methylbenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 120643636
N-(5-methyl-2-pyridinyl)-1-(4-prop-2-enoxybenzoyl)piperidine-4-carboxamide
CID 55810081
1-(2-aminobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119946668
1-(3,4-dihydro-2H-chromene-6-carbonyl)piperidine-4-carboxamide
CID 110693355
2,3-dihydro-1-benzofuran-5-yl-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
CID 110802210
1-[4-(2,3-dihydro-1-benzofuran-5-carbonylamino)benzoyl]piperidine-4-carboxylic acid
CID 167849672
[4-(aminomethyl)piperidin-1-yl]-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 55218662

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 87007164) is 1-(2,3-dihydro-1-benzofuran-5-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc4c(c3)CCO4)CC2)nc1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is GVYHXGNGGOAGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14-2-5-19(22-13-14)23-20(25)15-6-9-24(10-7-15)21(26)17-3-4-18-16(12-17)8-11-27-18/h2-5,12-13,15H,6-11H2,1H3,(H,22,23,25).
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-(2,3-dihydro-1-benzofuran-5-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 87007164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).