N-(2,6-dioxopiperidin-3-yl)-6-methyl-6-propan-2-yl-7,8-dihydro-5H-isoquinoline-3-carboxamide

C19H25N3O3 — CID 175620494

IUPACN-(2,6-dioxopiperidin-3-yl)-6-methyl-6-propan-2-yl-7,8-dihydro-5H-isoquinoline-3-carboxamide
SMILESCC(C)C1(C)CCc2cnc(C(=O)NC3CCC(=O)NC3=O)cc2C1
InChIInChI=1S/C19H25N3O3/c1-11(2)19(3)7-6-12-10-20-15(8-13(12)9-19)18(25)21-14-4-5-16(23)22-17(14)24/h8,10-11,14H,4-7,9H2,1-3H3,(H,21,25)(H,22,23,24)
InChIKeyPXPOVJDDEAXFJZ-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.77
Rot. Bonds3

About N-(2,6-dioxopiperidin-3-yl)-6-methyl-6-propan-2-yl-7,8-dihydro-5H-isoquinoline-3-carboxamide

N-(2,6-dioxopiperidin-3-yl)-6-methyl-6-propan-2-yl-7,8-dihydro-5H-isoquinoline-3-carboxamide (PubChem CID 175620494) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-6-methyl-6-propan-2-yl-7,8-dihydro-5H-isoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-6-methyl-6-propan-2-yl-7,8-dihydro-5H-isoquinoline-3-carboxamide
PubChem CID175620494
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-6-methyl-6-propan-2-yl-7,8-dihydro-5H-isoquinoline-3-carboxamide
SMILESCC(C)C1(C)CCc2cnc(C(=O)NC3CCC(=O)NC3=O)cc2C1
InChIInChI=1S/C19H25N3O3/c1-11(2)19(3)7-6-12-10-20-15(8-13(12)9-19)18(25)21-14-4-5-16(23)22-17(14)24/h8,10-11,14H,4-7,9H2,1-3H3,(H,21,25)(H,22,23,24)
InChIKeyPXPOVJDDEAXFJZ-UHFFFAOYSA-N
XLogP1.77
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-6-methyl-6-propan-2-yl-7,8-dihydro-5H-isoquinoline-3-carboxamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-6-methyl-6-propan-2-yl-7,8-dihydro-5H-isoquinoline-3-carboxamide (CID 175620494) is N-(2,6-dioxopiperidin-3-yl)-6-methyl-6-propan-2-yl-7,8-dihydro-5H-isoquinoline-3-carboxamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-6-methyl-6-propan-2-yl-7,8-dihydro-5H-isoquinoline-3-carboxamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-6-methyl-6-propan-2-yl-7,8-dihydro-5H-isoquinoline-3-carboxamide is CC(C)C1(C)CCc2cnc(C(=O)NC3CCC(=O)NC3=O)cc2C1.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-6-methyl-6-propan-2-yl-7,8-dihydro-5H-isoquinoline-3-carboxamide?
The InChIKey is PXPOVJDDEAXFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-11(2)19(3)7-6-12-10-20-15(8-13(12)9-19)18(25)21-14-4-5-16(23)22-17(14)24/h8,10-11,14H,4-7,9H2,1-3H3,(H,21,25)(H,22,23,24).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-6-methyl-6-propan-2-yl-7,8-dihydro-5H-isoquinoline-3-carboxamide?
N-(2,6-dioxopiperidin-3-yl)-6-methyl-6-propan-2-yl-7,8-dihydro-5H-isoquinoline-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-6-methyl-6-propan-2-yl-7,8-dihydro-5H-isoquinoline-3-carboxamide is sourced from PubChem (CID 175620494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).