N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide

C15H19N3O3 — CID 164629431

IUPACN-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide
SMILESCN1C(=O)CC[C@H](NC(=O)c2cc3c([nH]2)CCCC3)C1=O
InChIInChI=1S/C15H19N3O3/c1-18-13(19)7-6-11(15(18)21)17-14(20)12-8-9-4-2-3-5-10(9)16-12/h8,11,16H,2-7H2,1H3,(H,17,20)/t11-/m0/s1
InChIKeyZGDISXRZNUZHAB-NSHDSACASA-N
MW289.33 g/mol
LogP0.77
Rot. Bonds2

About N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide

N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide (PubChem CID 164629431) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide
PubChem CID164629431
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide
SMILESCN1C(=O)CC[C@H](NC(=O)c2cc3c([nH]2)CCCC3)C1=O
InChIInChI=1S/C15H19N3O3/c1-18-13(19)7-6-11(15(18)21)17-14(20)12-8-9-4-2-3-5-10(9)16-12/h8,11,16H,2-7H2,1H3,(H,17,20)/t11-/m0/s1
InChIKeyZGDISXRZNUZHAB-NSHDSACASA-N
XLogP0.77
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide?
The IUPAC name of N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide (CID 164629431) is N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide is CN1C(=O)CC[C@H](NC(=O)c2cc3c([nH]2)CCCC3)C1=O.
What is the InChIKey of N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide?
The InChIKey is ZGDISXRZNUZHAB-NSHDSACASA-N. The full InChI is InChI=1S/C15H19N3O3/c1-18-13(19)7-6-11(15(18)21)17-14(20)12-8-9-4-2-3-5-10(9)16-12/h8,11,16H,2-7H2,1H3,(H,17,20)/t11-/m0/s1.
What are the key properties of N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide?
N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 164629431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).