(3R)-3-hydroxy-1-[2-(2-methyl-1-benzofuran-3-yl)acetyl]piperidine-3-carboxamide

C17H20N2O4 — CID 129351915

IUPAC(3R)-3-hydroxy-1-[2-(2-methyl-1-benzofuran-3-yl)acetyl]piperidine-3-carboxamide
SMILESCc1oc2ccccc2c1CC(=O)N1CCC[C@](O)(C(N)=O)C1
InChIInChI=1S/C17H20N2O4/c1-11-13(12-5-2-3-6-14(12)23-11)9-15(20)19-8-4-7-17(22,10-19)16(18)21/h2-3,5-6,22H,4,7-10H2,1H3,(H2,18,21)/t17-/m1/s1
InChIKeyUXBZKZLZFGYHOD-QGZVFWFLSA-N
MW316.36 g/mol
LogP1.12
Rot. Bonds3

About (3R)-3-hydroxy-1-[2-(2-methyl-1-benzofuran-3-yl)acetyl]piperidine-3-carboxamide

(3R)-3-hydroxy-1-[2-(2-methyl-1-benzofuran-3-yl)acetyl]piperidine-3-carboxamide (PubChem CID 129351915) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is (3R)-3-hydroxy-1-[2-(2-methyl-1-benzofuran-3-yl)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-3-hydroxy-1-[2-(2-methyl-1-benzofuran-3-yl)acetyl]piperidine-3-carboxamide
PubChem CID129351915
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name(3R)-3-hydroxy-1-[2-(2-methyl-1-benzofuran-3-yl)acetyl]piperidine-3-carboxamide
SMILESCc1oc2ccccc2c1CC(=O)N1CCC[C@](O)(C(N)=O)C1
InChIInChI=1S/C17H20N2O4/c1-11-13(12-5-2-3-6-14(12)23-11)9-15(20)19-8-4-7-17(22,10-19)16(18)21/h2-3,5-6,22H,4,7-10H2,1H3,(H2,18,21)/t17-/m1/s1
InChIKeyUXBZKZLZFGYHOD-QGZVFWFLSA-N
XLogP1.12
TPSA96.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-hydroxy-1-[2-(2,4,6-trimethylphenyl)acetyl]piperidine-3-carboxamide
CID 100651991
2-(2-methyl-1-benzofuran-3-yl)acetyl chloride
CID 142975043
(3S)-1-[2-(3-bromophenyl)acetyl]-3-hydroxypiperidine-3-carboxamide
CID 129486382
1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methyl-1-benzofuran-3-yl)ethanone
CID 129351192
(3S)-1-[2-(3-fluorophenyl)acetyl]-3-hydroxypiperidine-3-carboxamide
CID 129485444
1-[2-(4-ethoxyphenyl)acetyl]-3-hydroxypiperidine-3-carboxamide
CID 128964748
(3S)-3-hydroxy-1-(4-phenylbenzoyl)piperidine-3-carboxamide
CID 100651742
3-hydroxy-1-(2-phenylacetyl)piperidine-3-carboxylic acid
CID 146130229
1-[2-(5-fluoro-2-methoxyphenyl)acetyl]-3-hydroxypiperidine-3-carboxamide
CID 128988914
3-hydroxy-1-(5-methylfuran-3-carbonyl)piperidine-3-carboxamide
CID 128964564
1-(3-hydroxy-3-methylpiperidin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone
CID 115874683
2-(1,2-benzoxazol-3-yl)-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 115874936

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-1-[2-(2-methyl-1-benzofuran-3-yl)acetyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-3-hydroxy-1-[2-(2-methyl-1-benzofuran-3-yl)acetyl]piperidine-3-carboxamide (CID 129351915) is (3R)-3-hydroxy-1-[2-(2-methyl-1-benzofuran-3-yl)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-3-hydroxy-1-[2-(2-methyl-1-benzofuran-3-yl)acetyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-3-hydroxy-1-[2-(2-methyl-1-benzofuran-3-yl)acetyl]piperidine-3-carboxamide is Cc1oc2ccccc2c1CC(=O)N1CCC[C@](O)(C(N)=O)C1.
What is the InChIKey of (3R)-3-hydroxy-1-[2-(2-methyl-1-benzofuran-3-yl)acetyl]piperidine-3-carboxamide?
The InChIKey is UXBZKZLZFGYHOD-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-11-13(12-5-2-3-6-14(12)23-11)9-15(20)19-8-4-7-17(22,10-19)16(18)21/h2-3,5-6,22H,4,7-10H2,1H3,(H2,18,21)/t17-/m1/s1.
What are the key properties of (3R)-3-hydroxy-1-[2-(2-methyl-1-benzofuran-3-yl)acetyl]piperidine-3-carboxamide?
(3R)-3-hydroxy-1-[2-(2-methyl-1-benzofuran-3-yl)acetyl]piperidine-3-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-1-[2-(2-methyl-1-benzofuran-3-yl)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 129351915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).