1-[1'-[(2S)-1-acetylpyrrolidine-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone

C20H29N5O4 — CID 72940050

IUPAC1-[1'-[(2S)-1-acetylpyrrolidine-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H]1CCCN1C(C)=O)CC2
InChIInChI=1S/C20H29N5O4/c1-14(26)24-8-3-4-16(24)19(28)23-10-6-20(7-11-23)18-15(21-13-22-18)5-9-25(20)17(27)12-29-2/h13,16H,3-12H2,1-2H3,(H,21,22)/t16-/m0/s1
InChIKeyAWYCUEIYYHCZPI-INIZCTEOSA-N
MW403.48 g/mol
LogP0.27
Rot. Bonds3

About 1-[1'-[(2S)-1-acetylpyrrolidine-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone

1-[1'-[(2S)-1-acetylpyrrolidine-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone (PubChem CID 72940050) has the molecular formula C20H29N5O4 and a molecular weight of 403.48 g/mol. Its IUPAC name is 1-[1'-[(2S)-1-acetylpyrrolidine-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[1'-[(2S)-1-acetylpyrrolidine-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone
PubChem CID72940050
Molecular FormulaC20H29N5O4
Molecular Weight403.48 g/mol
Exact Mass403.22
IUPAC Name1-[1'-[(2S)-1-acetylpyrrolidine-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H]1CCCN1C(C)=O)CC2
InChIInChI=1S/C20H29N5O4/c1-14(26)24-8-3-4-16(24)19(28)23-10-6-20(7-11-23)18-15(21-13-22-18)5-9-25(20)17(27)12-29-2/h13,16H,3-12H2,1-2H3,(H,21,22)/t16-/m0/s1
InChIKeyAWYCUEIYYHCZPI-INIZCTEOSA-N
XLogP0.27
TPSA98.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1'-[(2S)-1-acetylpyrrolidine-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1'-[(2S)-1-acetylpyrrolidine-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone?
The IUPAC name of 1-[1'-[(2S)-1-acetylpyrrolidine-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone (CID 72940050) is 1-[1'-[(2S)-1-acetylpyrrolidine-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[1'-[(2S)-1-acetylpyrrolidine-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone?
The canonical SMILES for 1-[1'-[(2S)-1-acetylpyrrolidine-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone is COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H]1CCCN1C(C)=O)CC2.
What is the InChIKey of 1-[1'-[(2S)-1-acetylpyrrolidine-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone?
The InChIKey is AWYCUEIYYHCZPI-INIZCTEOSA-N. The full InChI is InChI=1S/C20H29N5O4/c1-14(26)24-8-3-4-16(24)19(28)23-10-6-20(7-11-23)18-15(21-13-22-18)5-9-25(20)17(27)12-29-2/h13,16H,3-12H2,1-2H3,(H,21,22)/t16-/m0/s1.
What are the key properties of 1-[1'-[(2S)-1-acetylpyrrolidine-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone?
1-[1'-[(2S)-1-acetylpyrrolidine-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone has a molecular weight of 403.48 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1'-[(2S)-1-acetylpyrrolidine-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone is sourced from PubChem (CID 72940050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).