1'-(2-methoxyethyl)-2-oxo-N-propan-2-ylspiro[1H-indole-3,4'-piperidine]-5-carboxamide

C19H27N3O3 — CID 97400149

IUPAC1'-(2-methoxyethyl)-2-oxo-N-propan-2-ylspiro[1H-indole-3,4'-piperidine]-5-carboxamide
SMILESCOCCN1CCC2(CC1)C(=O)Nc1ccc(C(=O)NC(C)C)cc12
InChIInChI=1S/C19H27N3O3/c1-13(2)20-17(23)14-4-5-16-15(12-14)19(18(24)21-16)6-8-22(9-7-19)10-11-25-3/h4-5,12-13H,6-11H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyNFLDQNXVYUFOOZ-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.76
Rot. Bonds5

About 1'-(2-methoxyethyl)-2-oxo-N-propan-2-ylspiro[1H-indole-3,4'-piperidine]-5-carboxamide

1'-(2-methoxyethyl)-2-oxo-N-propan-2-ylspiro[1H-indole-3,4'-piperidine]-5-carboxamide (PubChem CID 97400149) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1'-(2-methoxyethyl)-2-oxo-N-propan-2-ylspiro[1H-indole-3,4'-piperidine]-5-carboxamide.

Molecular Properties

Compound Name1'-(2-methoxyethyl)-2-oxo-N-propan-2-ylspiro[1H-indole-3,4'-piperidine]-5-carboxamide
PubChem CID97400149
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1'-(2-methoxyethyl)-2-oxo-N-propan-2-ylspiro[1H-indole-3,4'-piperidine]-5-carboxamide
SMILESCOCCN1CCC2(CC1)C(=O)Nc1ccc(C(=O)NC(C)C)cc12
InChIInChI=1S/C19H27N3O3/c1-13(2)20-17(23)14-4-5-16-15(12-14)19(18(24)21-16)6-8-22(9-7-19)10-11-25-3/h4-5,12-13H,6-11H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyNFLDQNXVYUFOOZ-UHFFFAOYSA-N
XLogP1.76
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1'-(2-methoxyethyl)-2-oxo-N-propan-2-ylspiro[1H-indole-3,4'-piperidine]-5-carboxamide?
The IUPAC name of 1'-(2-methoxyethyl)-2-oxo-N-propan-2-ylspiro[1H-indole-3,4'-piperidine]-5-carboxamide (CID 97400149) is 1'-(2-methoxyethyl)-2-oxo-N-propan-2-ylspiro[1H-indole-3,4'-piperidine]-5-carboxamide.
What is the SMILES notation for 1'-(2-methoxyethyl)-2-oxo-N-propan-2-ylspiro[1H-indole-3,4'-piperidine]-5-carboxamide?
The canonical SMILES for 1'-(2-methoxyethyl)-2-oxo-N-propan-2-ylspiro[1H-indole-3,4'-piperidine]-5-carboxamide is COCCN1CCC2(CC1)C(=O)Nc1ccc(C(=O)NC(C)C)cc12.
What is the InChIKey of 1'-(2-methoxyethyl)-2-oxo-N-propan-2-ylspiro[1H-indole-3,4'-piperidine]-5-carboxamide?
The InChIKey is NFLDQNXVYUFOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-13(2)20-17(23)14-4-5-16-15(12-14)19(18(24)21-16)6-8-22(9-7-19)10-11-25-3/h4-5,12-13H,6-11H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of 1'-(2-methoxyethyl)-2-oxo-N-propan-2-ylspiro[1H-indole-3,4'-piperidine]-5-carboxamide?
1'-(2-methoxyethyl)-2-oxo-N-propan-2-ylspiro[1H-indole-3,4'-piperidine]-5-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-methoxyethyl)-2-oxo-N-propan-2-ylspiro[1H-indole-3,4'-piperidine]-5-carboxamide is sourced from PubChem (CID 97400149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).