1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-[(3S)-morpholin-3-yl]ethanone

C19H29N5O4 — CID 97280377

IUPAC1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-[(3S)-morpholin-3-yl]ethanone
SMILESCOCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)C[C@H]1COCCN1)CC2
InChIInChI=1S/C19H29N5O4/c1-27-12-17(26)24-6-2-15-18(22-13-21-15)19(24)3-7-23(8-4-19)16(25)10-14-11-28-9-5-20-14/h13-14,20H,2-12H2,1H3,(H,21,22)/t14-/m0/s1
InChIKeyUJEKCQLBLHGBSO-AWEZNQCLSA-N
MW391.47 g/mol
LogP-0.36
Rot. Bonds4

About 1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-[(3S)-morpholin-3-yl]ethanone

1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-[(3S)-morpholin-3-yl]ethanone (PubChem CID 97280377) has the molecular formula C19H29N5O4 and a molecular weight of 391.47 g/mol. Its IUPAC name is 1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-[(3S)-morpholin-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-[(3S)-morpholin-3-yl]ethanone
PubChem CID97280377
Molecular FormulaC19H29N5O4
Molecular Weight391.47 g/mol
Exact Mass391.22
IUPAC Name1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-[(3S)-morpholin-3-yl]ethanone
SMILESCOCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)C[C@H]1COCCN1)CC2
InChIInChI=1S/C19H29N5O4/c1-27-12-17(26)24-6-2-15-18(22-13-21-15)19(24)3-7-23(8-4-19)16(25)10-14-11-28-9-5-20-14/h13-14,20H,2-12H2,1H3,(H,21,22)/t14-/m0/s1
InChIKeyUJEKCQLBLHGBSO-AWEZNQCLSA-N
XLogP-0.36
TPSA99.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-[(3S)-morpholin-3-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-[(3S)-morpholin-3-yl]ethanone?
The IUPAC name of 1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-[(3S)-morpholin-3-yl]ethanone (CID 97280377) is 1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-[(3S)-morpholin-3-yl]ethanone.
What is the SMILES notation for 1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-[(3S)-morpholin-3-yl]ethanone?
The canonical SMILES for 1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-[(3S)-morpholin-3-yl]ethanone is COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)C[C@H]1COCCN1)CC2.
What is the InChIKey of 1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-[(3S)-morpholin-3-yl]ethanone?
The InChIKey is UJEKCQLBLHGBSO-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H29N5O4/c1-27-12-17(26)24-6-2-15-18(22-13-21-15)19(24)3-7-23(8-4-19)16(25)10-14-11-28-9-5-20-14/h13-14,20H,2-12H2,1H3,(H,21,22)/t14-/m0/s1.
What are the key properties of 1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-[(3S)-morpholin-3-yl]ethanone?
1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-[(3S)-morpholin-3-yl]ethanone has a molecular weight of 391.47 g/mol, XLogP of -0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-[(3S)-morpholin-3-yl]ethanone is sourced from PubChem (CID 97280377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).