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

C18H27N5O3 — CID 97119139

IUPAC2-methoxy-1-[1'-[(3R)-pyrrolidine-3-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone
SMILESCOCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H]1CCNC1)CC2
InChIInChI=1S/C18H27N5O3/c1-26-11-15(24)23-7-3-14-16(21-12-20-14)18(23)4-8-22(9-5-18)17(25)13-2-6-19-10-13/h12-13,19H,2-11H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeyUCWCOBRRGSXCBY-CYBMUJFWSA-N
MW361.45 g/mol
LogP-0.13
Rot. Bonds3

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

2-methoxy-1-[1'-[(3R)-pyrrolidine-3-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone (PubChem CID 97119139) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-methoxy-1-[1'-[(3R)-pyrrolidine-3-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[1'-[(3R)-pyrrolidine-3-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone
PubChem CID97119139
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Name2-methoxy-1-[1'-[(3R)-pyrrolidine-3-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone
SMILESCOCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H]1CCNC1)CC2
InChIInChI=1S/C18H27N5O3/c1-26-11-15(24)23-7-3-14-16(21-12-20-14)18(23)4-8-22(9-5-18)17(25)13-2-6-19-10-13/h12-13,19H,2-11H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeyUCWCOBRRGSXCBY-CYBMUJFWSA-N
XLogP-0.13
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[1'-[(3R)-pyrrolidine-3-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone?
The IUPAC name of 2-methoxy-1-[1'-[(3R)-pyrrolidine-3-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone (CID 97119139) is 2-methoxy-1-[1'-[(3R)-pyrrolidine-3-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[1'-[(3R)-pyrrolidine-3-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[1'-[(3R)-pyrrolidine-3-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone is COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H]1CCNC1)CC2.
What is the InChIKey of 2-methoxy-1-[1'-[(3R)-pyrrolidine-3-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone?
The InChIKey is UCWCOBRRGSXCBY-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-26-11-15(24)23-7-3-14-16(21-12-20-14)18(23)4-8-22(9-5-18)17(25)13-2-6-19-10-13/h12-13,19H,2-11H2,1H3,(H,20,21)/t13-/m1/s1.
What are the key properties of 2-methoxy-1-[1'-[(3R)-pyrrolidine-3-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone?
2-methoxy-1-[1'-[(3R)-pyrrolidine-3-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone has a molecular weight of 361.45 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[1'-[(3R)-pyrrolidine-3-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone is sourced from PubChem (CID 97119139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).