N-(2-acetyl-1-benzofuran-3-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide

C19H24N2O4 — CID 110899313

IUPACN-(2-acetyl-1-benzofuran-3-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
SMILESCC(=O)c1oc2ccccc2c1NC(=O)C(C)N1CCC(CO)CC1
InChIInChI=1S/C19H24N2O4/c1-12(21-9-7-14(11-22)8-10-21)19(24)20-17-15-5-3-4-6-16(15)25-18(17)13(2)23/h3-6,12,14,22H,7-11H2,1-2H3,(H,20,24)
InChIKeyPNXVDMSSBJGBRZ-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.67
Rot. Bonds5

About N-(2-acetyl-1-benzofuran-3-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide

N-(2-acetyl-1-benzofuran-3-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide (PubChem CID 110899313) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-(2-acetyl-1-benzofuran-3-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-acetyl-1-benzofuran-3-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
PubChem CID110899313
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC NameN-(2-acetyl-1-benzofuran-3-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
SMILESCC(=O)c1oc2ccccc2c1NC(=O)C(C)N1CCC(CO)CC1
InChIInChI=1S/C19H24N2O4/c1-12(21-9-7-14(11-22)8-10-21)19(24)20-17-15-5-3-4-6-16(15)25-18(17)13(2)23/h3-6,12,14,22H,7-11H2,1-2H3,(H,20,24)
InChIKeyPNXVDMSSBJGBRZ-UHFFFAOYSA-N
XLogP2.67
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-acetyl-1-benzofuran-3-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide
CID 111334114
[(2R)-1-[(2-acetyl-1-benzofuran-3-yl)amino]-1-oxopropan-2-yl] cyclobutanecarboxylate
CID 30505335
N-(2-acetyl-1-benzofuran-3-yl)-2-[3-hydroxybutyl(methyl)amino]propanamide
CID 111496772
2-[4-(hydroxymethyl)piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110891614
2-methyl-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]propanamide
CID 20926300
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(1-phenylethyl)propanamide
CID 75810047
N-(2,5-dimethylphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 110891637
N-(2-acetyl-1-benzofuran-3-yl)-2-piperidin-1-ylacetamide;hydrochloride
CID 2916581
N-(2-ethoxyphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 75810083
(2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 94896765
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2-acetyl-1-benzofuran-3-yl)acetamide
CID 11939628
N-[(2-fluorophenyl)methyl]-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 110899328

Frequently Asked Questions

What is the IUPAC name of N-(2-acetyl-1-benzofuran-3-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide?
The IUPAC name of N-(2-acetyl-1-benzofuran-3-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide (CID 110899313) is N-(2-acetyl-1-benzofuran-3-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(2-acetyl-1-benzofuran-3-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(2-acetyl-1-benzofuran-3-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide is CC(=O)c1oc2ccccc2c1NC(=O)C(C)N1CCC(CO)CC1.
What is the InChIKey of N-(2-acetyl-1-benzofuran-3-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide?
The InChIKey is PNXVDMSSBJGBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-12(21-9-7-14(11-22)8-10-21)19(24)20-17-15-5-3-4-6-16(15)25-18(17)13(2)23/h3-6,12,14,22H,7-11H2,1-2H3,(H,20,24).
What are the key properties of N-(2-acetyl-1-benzofuran-3-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide?
N-(2-acetyl-1-benzofuran-3-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide has a molecular weight of 344.41 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetyl-1-benzofuran-3-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 110899313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).