1-[1'-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one

C22H26N4O3 — CID 97274886

IUPAC1-[1'-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one
SMILESCCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@H]1Cc3ccccc3O1)CC2
InChIInChI=1S/C22H26N4O3/c1-2-19(27)26-10-7-16-20(24-14-23-16)22(26)8-11-25(12-9-22)21(28)18-13-15-5-3-4-6-17(15)29-18/h3-6,14,18H,2,7-13H2,1H3,(H,23,24)/t18-/m1/s1
InChIKeyXQYRDPWYQIHLBR-GOSISDBHSA-N
MW394.48 g/mol
LogP2.03
Rot. Bonds2

About 1-[1'-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one

1-[1'-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one (PubChem CID 97274886) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 1-[1'-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one.

Molecular Properties

Compound Name1-[1'-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one
PubChem CID97274886
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name1-[1'-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one
SMILESCCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@H]1Cc3ccccc3O1)CC2
InChIInChI=1S/C22H26N4O3/c1-2-19(27)26-10-7-16-20(24-14-23-16)22(26)8-11-25(12-9-22)21(28)18-13-15-5-3-4-6-17(15)29-18/h3-6,14,18H,2,7-13H2,1H3,(H,23,24)/t18-/m1/s1
InChIKeyXQYRDPWYQIHLBR-GOSISDBHSA-N
XLogP2.03
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1'-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1'-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one?
The IUPAC name of 1-[1'-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one (CID 97274886) is 1-[1'-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one.
What is the SMILES notation for 1-[1'-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one?
The canonical SMILES for 1-[1'-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one is CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@H]1Cc3ccccc3O1)CC2.
What is the InChIKey of 1-[1'-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one?
The InChIKey is XQYRDPWYQIHLBR-GOSISDBHSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-2-19(27)26-10-7-16-20(24-14-23-16)22(26)8-11-25(12-9-22)21(28)18-13-15-5-3-4-6-17(15)29-18/h3-6,14,18H,2,7-13H2,1H3,(H,23,24)/t18-/m1/s1.
What are the key properties of 1-[1'-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one?
1-[1'-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one has a molecular weight of 394.48 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1'-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one is sourced from PubChem (CID 97274886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).