1-methoxy-3-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-one

C13H24N2O2 — CID 107507405

IUPAC1-methoxy-3-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-one
SMILESCOCC(=O)CN1CCC(N2CCCCC2)C1
InChIInChI=1S/C13H24N2O2/c1-17-11-13(16)10-14-8-5-12(9-14)15-6-3-2-4-7-15/h12H,2-11H2,1H3
InChIKeyIQCKKPHNXNKMRO-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.76
Rot. Bonds5

About 1-methoxy-3-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-one

1-methoxy-3-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-one (PubChem CID 107507405) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-methoxy-3-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-one.

Molecular Properties

Compound Name1-methoxy-3-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-one
PubChem CID107507405
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-methoxy-3-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-one
SMILESCOCC(=O)CN1CCC(N2CCCCC2)C1
InChIInChI=1S/C13H24N2O2/c1-17-11-13(16)10-14-8-5-12(9-14)15-6-3-2-4-7-15/h12H,2-11H2,1H3
InChIKeyIQCKKPHNXNKMRO-UHFFFAOYSA-N
XLogP0.76
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(dimethylamino)pyrrolidin-1-yl]-3-methoxypropan-2-one
CID 107507402
butyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)acetate
CID 55159559
methyl 2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetate
CID 69424198
1-(4-aminopiperidin-1-yl)-3-methoxypropan-2-one
CID 116593221
1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-one
CID 62044651
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentan-2-one
CID 79935934
1-(3-ethoxypiperidin-1-yl)-3-methoxypropan-2-one
CID 107507197
tert-butyl 3-(3-piperidin-1-ylpyrrolidin-1-yl)propanoate
CID 115618197
methyl 2-bromo-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanoate
CID 81100758
1-methoxy-3-(3-propoxypiperidin-1-yl)propan-2-one
CID 107507196
1-phenyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 63170628
1-(2,5-dimethylthiophen-3-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 63170132

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-one?
The IUPAC name of 1-methoxy-3-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-one (CID 107507405) is 1-methoxy-3-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-one.
What is the SMILES notation for 1-methoxy-3-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-one?
The canonical SMILES for 1-methoxy-3-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-one is COCC(=O)CN1CCC(N2CCCCC2)C1.
What is the InChIKey of 1-methoxy-3-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-one?
The InChIKey is IQCKKPHNXNKMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-17-11-13(16)10-14-8-5-12(9-14)15-6-3-2-4-7-15/h12H,2-11H2,1H3.
What are the key properties of 1-methoxy-3-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-one?
1-methoxy-3-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-one has a molecular weight of 240.35 g/mol, XLogP of 0.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-one is sourced from PubChem (CID 107507405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).