2-(1-acetylpiperidine-4-carbonyl)-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide

C18H23N3O4 — CID 58147293

IUPAC2-(1-acetylpiperidine-4-carbonyl)-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide
SMILESCC(=O)N1CCC(C(=O)N2CCc3cc(C(=O)NO)ccc3C2)CC1
InChIInChI=1S/C18H23N3O4/c1-12(22)20-7-4-13(5-8-20)18(24)21-9-6-14-10-15(17(23)19-25)2-3-16(14)11-21/h2-3,10,13,25H,4-9,11H2,1H3,(H,19,23)
InChIKeyIHDQYFMYRGBMJC-UHFFFAOYSA-N
MW345.40 g/mol
LogP0.95
Rot. Bonds2

About 2-(1-acetylpiperidine-4-carbonyl)-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide

2-(1-acetylpiperidine-4-carbonyl)-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide (PubChem CID 58147293) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-(1-acetylpiperidine-4-carbonyl)-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide.

Molecular Properties

Compound Name2-(1-acetylpiperidine-4-carbonyl)-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide
PubChem CID58147293
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name2-(1-acetylpiperidine-4-carbonyl)-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide
SMILESCC(=O)N1CCC(C(=O)N2CCc3cc(C(=O)NO)ccc3C2)CC1
InChIInChI=1S/C18H23N3O4/c1-12(22)20-7-4-13(5-8-20)18(24)21-9-6-14-10-15(17(23)19-25)2-3-16(14)11-21/h2-3,10,13,25H,4-9,11H2,1H3,(H,19,23)
InChIKeyIHDQYFMYRGBMJC-UHFFFAOYSA-N
XLogP0.95
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]ethanone
CID 17127006
2-[4-(aminomethyl)cyclohexanecarbonyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 154080168
2-(cyclohexanecarbonyl)-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 69041392
2-[(2S)-1-acetylpyrrolidine-2-carbonyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 166317438
N-hydroxy-2-[2-(4-methylphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 58147133
3,4-dichloro-N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide
CID 16943514
cyclohexyl-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methanone
CID 38382766
N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-propan-2-yloxybenzamide
CID 16943470
N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]cyclopropanecarboxamide
CID 16943500
4-(4,4-difluorocyclohexanecarbonyl)-N-hydroxy-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 122440115
(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 146127042
3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone
CID 38383791

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylpiperidine-4-carbonyl)-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide?
The IUPAC name of 2-(1-acetylpiperidine-4-carbonyl)-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide (CID 58147293) is 2-(1-acetylpiperidine-4-carbonyl)-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide.
What is the SMILES notation for 2-(1-acetylpiperidine-4-carbonyl)-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide?
The canonical SMILES for 2-(1-acetylpiperidine-4-carbonyl)-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide is CC(=O)N1CCC(C(=O)N2CCc3cc(C(=O)NO)ccc3C2)CC1.
What is the InChIKey of 2-(1-acetylpiperidine-4-carbonyl)-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide?
The InChIKey is IHDQYFMYRGBMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-12(22)20-7-4-13(5-8-20)18(24)21-9-6-14-10-15(17(23)19-25)2-3-16(14)11-21/h2-3,10,13,25H,4-9,11H2,1H3,(H,19,23).
What are the key properties of 2-(1-acetylpiperidine-4-carbonyl)-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide?
2-(1-acetylpiperidine-4-carbonyl)-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylpiperidine-4-carbonyl)-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide is sourced from PubChem (CID 58147293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).