2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide

C23H25N3O4 — CID 18149429

IUPAC2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide
SMILESCC(=O)N1C=Cc2ccccc2C1CC(=O)NC1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C23H25N3O4/c1-16(27)26-13-8-17-5-2-3-6-19(17)20(26)15-22(28)24-18-9-11-25(12-10-18)23(29)21-7-4-14-30-21/h2-8,13-14,18,20H,9-12,15H2,1H3,(H,24,28)
InChIKeyBUHMPAJTNPGFDE-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.96
Rot. Bonds4

About 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide

2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide (PubChem CID 18149429) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide
PubChem CID18149429
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide
SMILESCC(=O)N1C=Cc2ccccc2C1CC(=O)NC1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C23H25N3O4/c1-16(27)26-13-8-17-5-2-3-6-19(17)20(26)15-22(28)24-18-9-11-25(12-10-18)23(29)21-7-4-14-30-21/h2-8,13-14,18,20H,9-12,15H2,1H3,(H,24,28)
InChIKeyBUHMPAJTNPGFDE-UHFFFAOYSA-N
XLogP2.96
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-acetylpiperidin-4-yl)acetamide
CID 45352268
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide
CID 8963976
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 9091672
2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 51925291
2-(2-acetyl-1H-isoquinolin-1-yl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119261136
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 18154917
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2,3-dimethylcyclohexyl)acetamide
CID 51238522
2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9081455
methyl 4-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-4-oxobutanoate
CID 110820105
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide
CID 134000230
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide
CID 16613592
2-(2-acetyl-1H-isoquinolin-1-yl)-N'-[2-(4-chlorophenyl)acetyl]acetohydrazide
CID 51238688

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide (CID 18149429) is 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide is CC(=O)N1C=Cc2ccccc2C1CC(=O)NC1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is BUHMPAJTNPGFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-16(27)26-13-8-17-5-2-3-6-19(17)20(26)15-22(28)24-18-9-11-25(12-10-18)23(29)21-7-4-14-30-21/h2-8,13-14,18,20H,9-12,15H2,1H3,(H,24,28).
What are the key properties of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide?
2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 407.47 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 18149429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).