4-cyclobutyl-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxypiperidine-1-carboxamide

C20H28N2O3 — CID 136562958

IUPAC4-cyclobutyl-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxypiperidine-1-carboxamide
SMILESCC1(C)Cc2cccc(NC(=O)N3CCC(O)(C4CCC4)CC3)c2O1
InChIInChI=1S/C20H28N2O3/c1-19(2)13-14-5-3-8-16(17(14)25-19)21-18(23)22-11-9-20(24,10-12-22)15-6-4-7-15/h3,5,8,15,24H,4,6-7,9-13H2,1-2H3,(H,21,23)
InChIKeySZFXTUYFZAXVLU-UHFFFAOYSA-N
MW344.45 g/mol
LogP3.56
Rot. Bonds2

About 4-cyclobutyl-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxypiperidine-1-carboxamide

4-cyclobutyl-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxypiperidine-1-carboxamide (PubChem CID 136562958) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 4-cyclobutyl-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound Name4-cyclobutyl-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxypiperidine-1-carboxamide
PubChem CID136562958
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name4-cyclobutyl-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxypiperidine-1-carboxamide
SMILESCC1(C)Cc2cccc(NC(=O)N3CCC(O)(C4CCC4)CC3)c2O1
InChIInChI=1S/C20H28N2O3/c1-19(2)13-14-5-3-8-16(17(14)25-19)21-18(23)22-11-9-20(24,10-12-22)15-6-4-7-15/h3,5,8,15,24H,4,6-7,9-13H2,1-2H3,(H,21,23)
InChIKeySZFXTUYFZAXVLU-UHFFFAOYSA-N
XLogP3.56
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propan-2-ylurea
CID 134105455
tert-butyl N-(2,2-dimethyl-3H-1-benzofuran-7-yl)carbamate
CID 69419090
4-cyclopentyl-4-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 23071820
(4aR,8aS)-4a-hydroxy-N-(2-methyl-3-methylsulfanylphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carboxamide
CID 124881963
4-cyclopentyl-4-hydroxy-N-(4-phenoxyphenyl)piperidine-1-carboxamide
CID 23071843
(4aS,8aS)-N-(3-chloro-2-ethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carboxamide
CID 74240403
4-cyclopentyl-N-(3,5-dichlorophenyl)-4-hydroxypiperidine-1-carboxamide
CID 23072018
4-cyclohexyl-4-hydroxy-N-(3-phenoxyphenyl)piperidine-1-carboxamide
CID 23071773
4a-hydroxy-N-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carboxamide
CID 81103476
N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(hydroxymethyl)-1-benzofuran-2-carboxamide
CID 154868938
4-cyclopropyl-4-hydroxy-N-(3-phenoxyphenyl)piperidine-1-carboxamide
CID 23071756
N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(prop-2-enoylamino)benzamide
CID 166412050

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxypiperidine-1-carboxamide?
The IUPAC name of 4-cyclobutyl-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxypiperidine-1-carboxamide (CID 136562958) is 4-cyclobutyl-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for 4-cyclobutyl-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxypiperidine-1-carboxamide?
The canonical SMILES for 4-cyclobutyl-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxypiperidine-1-carboxamide is CC1(C)Cc2cccc(NC(=O)N3CCC(O)(C4CCC4)CC3)c2O1.
What is the InChIKey of 4-cyclobutyl-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxypiperidine-1-carboxamide?
The InChIKey is SZFXTUYFZAXVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-19(2)13-14-5-3-8-16(17(14)25-19)21-18(23)22-11-9-20(24,10-12-22)15-6-4-7-15/h3,5,8,15,24H,4,6-7,9-13H2,1-2H3,(H,21,23).
What are the key properties of 4-cyclobutyl-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxypiperidine-1-carboxamide?
4-cyclobutyl-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxypiperidine-1-carboxamide has a molecular weight of 344.45 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 136562958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).