4-[hydroxy(pyridin-2-yl)methyl]-N-(2-methyl-1-benzofuran-5-yl)piperidine-1-carboxamide

C21H23N3O3 — CID 72913425

IUPAC4-[hydroxy(pyridin-2-yl)methyl]-N-(2-methyl-1-benzofuran-5-yl)piperidine-1-carboxamide
SMILESCc1cc2cc(NC(=O)N3CCC(C(O)c4ccccn4)CC3)ccc2o1
InChIInChI=1S/C21H23N3O3/c1-14-12-16-13-17(5-6-19(16)27-14)23-21(26)24-10-7-15(8-11-24)20(25)18-4-2-3-9-22-18/h2-6,9,12-13,15,20,25H,7-8,10-11H2,1H3,(H,23,26)
InChIKeyGSUVKMWCTQXIBE-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.11
Rot. Bonds3

About 4-[hydroxy(pyridin-2-yl)methyl]-N-(2-methyl-1-benzofuran-5-yl)piperidine-1-carboxamide

4-[hydroxy(pyridin-2-yl)methyl]-N-(2-methyl-1-benzofuran-5-yl)piperidine-1-carboxamide (PubChem CID 72913425) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 4-[hydroxy(pyridin-2-yl)methyl]-N-(2-methyl-1-benzofuran-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[hydroxy(pyridin-2-yl)methyl]-N-(2-methyl-1-benzofuran-5-yl)piperidine-1-carboxamide
PubChem CID72913425
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name4-[hydroxy(pyridin-2-yl)methyl]-N-(2-methyl-1-benzofuran-5-yl)piperidine-1-carboxamide
SMILESCc1cc2cc(NC(=O)N3CCC(C(O)c4ccccn4)CC3)ccc2o1
InChIInChI=1S/C21H23N3O3/c1-14-12-16-13-17(5-6-19(16)27-14)23-21(26)24-10-7-15(8-11-24)20(25)18-4-2-3-9-22-18/h2-6,9,12-13,15,20,25H,7-8,10-11H2,1H3,(H,23,26)
InChIKeyGSUVKMWCTQXIBE-UHFFFAOYSA-N
XLogP4.11
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-3-methylphenyl)-4-[hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide
CID 72853230
N-(1,3-benzothiazol-6-yl)-4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide
CID 97268082
N-[4-(ethylcarbamoyl)phenyl]-4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide
CID 125174868
N-(2-methyl-1-benzofuran-5-yl)-2-pyridin-2-ylpiperidine-1-carboxamide
CID 118779586
4-[hydroxy(pyridin-2-yl)methyl]-N-[3-(1,2,4-triazol-1-yl)phenyl]piperidine-1-carboxamide
CID 72876027
N-(2-methyl-1-benzofuran-5-yl)thiomorpholine-4-carboxamide
CID 72870610
N-(1,5-dimethylpyrazol-4-yl)-4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide
CID 125172195
4-acetyl-N-(2-methyl-1-benzofuran-5-yl)-1,4-diazepane-1-carboxamide
CID 72920823
4-[(R)-hydroxy(pyridin-2-yl)methyl]-N-(2-propan-2-ylsulfanylphenyl)piperidine-1-carboxamide
CID 97438061
4-[(1S,2S)-2-hydroxycyclohexyl]-N-(2-methyl-1-benzofuran-5-yl)piperazine-1-carboxamide
CID 72923232
4-[(R)-hydroxy(pyridin-2-yl)methyl]-N-(1H-indazol-7-yl)piperidine-1-carboxamide
CID 125154869
3-N,3-N-diethyl-1-N-(2-methyl-1-benzofuran-5-yl)piperidine-1,3-dicarboxamide
CID 72859203

Frequently Asked Questions

What is the IUPAC name of 4-[hydroxy(pyridin-2-yl)methyl]-N-(2-methyl-1-benzofuran-5-yl)piperidine-1-carboxamide?
The IUPAC name of 4-[hydroxy(pyridin-2-yl)methyl]-N-(2-methyl-1-benzofuran-5-yl)piperidine-1-carboxamide (CID 72913425) is 4-[hydroxy(pyridin-2-yl)methyl]-N-(2-methyl-1-benzofuran-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[hydroxy(pyridin-2-yl)methyl]-N-(2-methyl-1-benzofuran-5-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-[hydroxy(pyridin-2-yl)methyl]-N-(2-methyl-1-benzofuran-5-yl)piperidine-1-carboxamide is Cc1cc2cc(NC(=O)N3CCC(C(O)c4ccccn4)CC3)ccc2o1.
What is the InChIKey of 4-[hydroxy(pyridin-2-yl)methyl]-N-(2-methyl-1-benzofuran-5-yl)piperidine-1-carboxamide?
The InChIKey is GSUVKMWCTQXIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14-12-16-13-17(5-6-19(16)27-14)23-21(26)24-10-7-15(8-11-24)20(25)18-4-2-3-9-22-18/h2-6,9,12-13,15,20,25H,7-8,10-11H2,1H3,(H,23,26).
What are the key properties of 4-[hydroxy(pyridin-2-yl)methyl]-N-(2-methyl-1-benzofuran-5-yl)piperidine-1-carboxamide?
4-[hydroxy(pyridin-2-yl)methyl]-N-(2-methyl-1-benzofuran-5-yl)piperidine-1-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydroxy(pyridin-2-yl)methyl]-N-(2-methyl-1-benzofuran-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 72913425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).