2-[1-[(2-chloro-1-benzofuran-3-yl)methyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide

C19H23ClN2O3 — CID 126800691

IUPAC2-[1-[(2-chloro-1-benzofuran-3-yl)methyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide
SMILESO=C(NC1CC1)C(O)C1CCN(Cc2c(Cl)oc3ccccc23)CC1
InChIInChI=1S/C19H23ClN2O3/c20-18-15(14-3-1-2-4-16(14)25-18)11-22-9-7-12(8-10-22)17(23)19(24)21-13-5-6-13/h1-4,12-13,17,23H,5-11H2,(H,21,24)
InChIKeyGFCRGZDYOUPDRI-UHFFFAOYSA-N
MW362.86 g/mol
LogP2.94
Rot. Bonds5

About 2-[1-[(2-chloro-1-benzofuran-3-yl)methyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide

2-[1-[(2-chloro-1-benzofuran-3-yl)methyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide (PubChem CID 126800691) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is 2-[1-[(2-chloro-1-benzofuran-3-yl)methyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide.

Molecular Properties

Compound Name2-[1-[(2-chloro-1-benzofuran-3-yl)methyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide
PubChem CID126800691
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC Name2-[1-[(2-chloro-1-benzofuran-3-yl)methyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide
SMILESO=C(NC1CC1)C(O)C1CCN(Cc2c(Cl)oc3ccccc23)CC1
InChIInChI=1S/C19H23ClN2O3/c20-18-15(14-3-1-2-4-16(14)25-18)11-22-9-7-12(8-10-22)17(23)19(24)21-13-5-6-13/h1-4,12-13,17,23H,5-11H2,(H,21,24)
InChIKeyGFCRGZDYOUPDRI-UHFFFAOYSA-N
XLogP2.94
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-cyclopropyl-2-hydroxy-2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]acetamide
CID 129489272
(2R)-N-cyclopropyl-2-hydroxy-2-[1-[(2R)-2-hydroxy-2-phenylpropyl]piperidin-4-yl]acetamide
CID 129489619
(2S)-2-[1-[(5-cyanothiophen-2-yl)methyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide
CID 129490029
(2R)-N-cyclopropyl-2-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-2-hydroxyacetamide
CID 129490200
(2R)-N-cyclopropyl-2-[1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-2-hydroxyacetamide
CID 129489846
(2R)-2-[1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide
CID 129489061
3-[(4-methylpiperidin-1-yl)methyl]-1-benzofuran-2-carboxylic acid
CID 28943269
(2S)-N-cyclopropyl-2-hydroxy-2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]acetamide
CID 129490205
N-cyclopropyl-2-hydroxy-2-[1-[4-(2-methylimidazol-1-yl)butyl]piperidin-4-yl]acetamide
CID 131959799
N-cyclopropyl-2-hydroxy-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide
CID 154753718
(2S)-N-cyclopropyl-2-hydroxy-2-[1-(3-morpholin-4-ylpropyl)piperidin-4-yl]acetamide
CID 129490207
(2S)-N-cyclopropyl-2-hydroxy-2-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]acetamide
CID 129490273

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chloro-1-benzofuran-3-yl)methyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide?
The IUPAC name of 2-[1-[(2-chloro-1-benzofuran-3-yl)methyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide (CID 126800691) is 2-[1-[(2-chloro-1-benzofuran-3-yl)methyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide.
What is the SMILES notation for 2-[1-[(2-chloro-1-benzofuran-3-yl)methyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide?
The canonical SMILES for 2-[1-[(2-chloro-1-benzofuran-3-yl)methyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide is O=C(NC1CC1)C(O)C1CCN(Cc2c(Cl)oc3ccccc23)CC1.
What is the InChIKey of 2-[1-[(2-chloro-1-benzofuran-3-yl)methyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide?
The InChIKey is GFCRGZDYOUPDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3/c20-18-15(14-3-1-2-4-16(14)25-18)11-22-9-7-12(8-10-22)17(23)19(24)21-13-5-6-13/h1-4,12-13,17,23H,5-11H2,(H,21,24).
What are the key properties of 2-[1-[(2-chloro-1-benzofuran-3-yl)methyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide?
2-[1-[(2-chloro-1-benzofuran-3-yl)methyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide has a molecular weight of 362.86 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chloro-1-benzofuran-3-yl)methyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide is sourced from PubChem (CID 126800691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).