(3S)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2,3-dihydro-1-benzofuran-3-carboxamide

C17H22N2O3 — CID 97213546

IUPAC(3S)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESC[C@@H](NC(=O)[C@@H]1COc2ccccc21)C(=O)N1CCCCC1
InChIInChI=1S/C17H22N2O3/c1-12(17(21)19-9-5-2-6-10-19)18-16(20)14-11-22-15-8-4-3-7-13(14)15/h3-4,7-8,12,14H,2,5-6,9-11H2,1H3,(H,18,20)/t12-,14-/m1/s1
InChIKeyCOBXRZWSHCBFNK-TZMCWYRMSA-N
MW302.37 g/mol
LogP1.68
Rot. Bonds3

About (3S)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2,3-dihydro-1-benzofuran-3-carboxamide

(3S)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 97213546) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is (3S)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID97213546
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name(3S)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESC[C@@H](NC(=O)[C@@H]1COc2ccccc21)C(=O)N1CCCCC1
InChIInChI=1S/C17H22N2O3/c1-12(17(21)19-9-5-2-6-10-19)18-16(20)14-11-22-15-8-4-3-7-13(14)15/h3-4,7-8,12,14H,2,5-6,9-11H2,1H3,(H,18,20)/t12-,14-/m1/s1
InChIKeyCOBXRZWSHCBFNK-TZMCWYRMSA-N
XLogP1.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2,3-dihydro-1-benzofuran-3-carboxamide with MolForge

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Related Compounds

N-(4-chlorobutan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 83179536
2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 60931257
(3S)-N-[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 96526182
(3S)-N-[(2R)-1-cyanopropan-2-yl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 95359121
N-pent-1-yn-3-yl-2,3-dihydro-1-benzofuran-3-carboxamide
CID 103579233
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 77038856
N-(4-amino-4-hydroxyiminobutan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 77020855
N-(1-oxo-1-piperidin-1-ylpropan-2-yl)cyclopentanecarboxamide
CID 42702289
bis(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 174352835
methyl (3S)-2,3-dihydro-1-benzofuran-3-carboxylate
CID 95340884
2-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)azetidin-3-yl]propanoic acid
CID 116681616
1-(azepan-1-yl)-2-(2,3-dihydro-1-benzofuran-3-yl)ethanone
CID 110753812

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of (3S)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2,3-dihydro-1-benzofuran-3-carboxamide (CID 97213546) is (3S)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for (3S)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2,3-dihydro-1-benzofuran-3-carboxamide is C[C@@H](NC(=O)[C@@H]1COc2ccccc21)C(=O)N1CCCCC1.
What is the InChIKey of (3S)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is COBXRZWSHCBFNK-TZMCWYRMSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-12(17(21)19-9-5-2-6-10-19)18-16(20)14-11-22-15-8-4-3-7-13(14)15/h3-4,7-8,12,14H,2,5-6,9-11H2,1H3,(H,18,20)/t12-,14-/m1/s1.
What are the key properties of (3S)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2,3-dihydro-1-benzofuran-3-carboxamide?
(3S)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2,3-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 97213546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).