2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide

C18H21N3O3 — CID 122186788

IUPAC2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide
SMILESNC(=O)c1cccc2c1C(=O)N(C1CCN(C(=O)C3CC3)CC1)C2
InChIInChI=1S/C18H21N3O3/c19-16(22)14-3-1-2-12-10-21(18(24)15(12)14)13-6-8-20(9-7-13)17(23)11-4-5-11/h1-3,11,13H,4-10H2,(H2,19,22)
InChIKeyVUYFNAULJNANJS-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.14
Rot. Bonds3

About 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide

2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide (PubChem CID 122186788) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide.

Molecular Properties

Compound Name2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide
PubChem CID122186788
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide
SMILESNC(=O)c1cccc2c1C(=O)N(C1CCN(C(=O)C3CC3)CC1)C2
InChIInChI=1S/C18H21N3O3/c19-16(22)14-3-1-2-12-10-21(18(24)15(12)14)13-6-8-20(9-7-13)17(23)11-4-5-11/h1-3,11,13H,4-10H2,(H2,19,22)
InChIKeyVUYFNAULJNANJS-UHFFFAOYSA-N
XLogP1.14
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide?
The IUPAC name of 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide (CID 122186788) is 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide.
What is the SMILES notation for 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide?
The canonical SMILES for 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide is NC(=O)c1cccc2c1C(=O)N(C1CCN(C(=O)C3CC3)CC1)C2.
What is the InChIKey of 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide?
The InChIKey is VUYFNAULJNANJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c19-16(22)14-3-1-2-12-10-21(18(24)15(12)14)13-6-8-20(9-7-13)17(23)11-4-5-11/h1-3,11,13H,4-10H2,(H2,19,22).
What are the key properties of 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide?
2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide is sourced from PubChem (CID 122186788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).