N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]-2,3-dihydro-1-benzofuran-5-carboxamide

C20H20N2O3 — CID 146130817

IUPACN-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C1CC[C@@H](NC(=O)c2ccc3c(c2)CCO3)[C@H](c2ccccc2)N1
InChIInChI=1S/C20H20N2O3/c23-18-9-7-16(19(22-18)13-4-2-1-3-5-13)21-20(24)15-6-8-17-14(12-15)10-11-25-17/h1-6,8,12,16,19H,7,9-11H2,(H,21,24)(H,22,23)/t16-,19+/m1/s1
InChIKeyHECRJQYJYBAMDM-APWZRJJASA-N
MW336.39 g/mol
LogP2.37
Rot. Bonds3

About N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]-2,3-dihydro-1-benzofuran-5-carboxamide

N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 146130817) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID146130817
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C1CC[C@@H](NC(=O)c2ccc3c(c2)CCO3)[C@H](c2ccccc2)N1
InChIInChI=1S/C20H20N2O3/c23-18-9-7-16(19(22-18)13-4-2-1-3-5-13)21-20(24)15-6-8-17-14(12-15)10-11-25-17/h1-6,8,12,16,19H,7,9-11H2,(H,21,24)(H,22,23)/t16-,19+/m1/s1
InChIKeyHECRJQYJYBAMDM-APWZRJJASA-N
XLogP2.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 71942700
2-(dimethylamino)-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyridine-4-carboxamide
CID 146130820
N-(2-bromocyclohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 114311850
N-[2-(aminomethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 62955860
N-(4-chlorocyclohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 114296800
4-chloro-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]-1H-pyrrole-2-carboxamide
CID 146130814
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
4-chloro-2-fluoro-N-[(2R,3R)-6-oxo-2-phenylpiperidin-3-yl]benzamide
CID 95771187
1,2,5-trimethyl-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyrrole-3-carboxamide
CID 146130842
4-chloro-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyridine-2-carboxamide
CID 146147900
5-ethyl-1-methyl-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyrazole-3-carboxamide
CID 146130844
3-[[(2R,3R)-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]carbamoyl]benzoic acid
CID 138001754

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]-2,3-dihydro-1-benzofuran-5-carboxamide (CID 146130817) is N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]-2,3-dihydro-1-benzofuran-5-carboxamide is O=C1CC[C@@H](NC(=O)c2ccc3c(c2)CCO3)[C@H](c2ccccc2)N1.
What is the InChIKey of N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is HECRJQYJYBAMDM-APWZRJJASA-N. The full InChI is InChI=1S/C20H20N2O3/c23-18-9-7-16(19(22-18)13-4-2-1-3-5-13)21-20(24)15-6-8-17-14(12-15)10-11-25-17/h1-6,8,12,16,19H,7,9-11H2,(H,21,24)(H,22,23)/t16-,19+/m1/s1.
What are the key properties of N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]-2,3-dihydro-1-benzofuran-5-carboxamide?
N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 146130817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).