(4-methoxypyrrolidin-2-yl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone

C15H27N3O2 — CID 63167377

IUPAC(4-methoxypyrrolidin-2-yl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone
SMILESCOC1CNC(C(=O)N2CCC(N3CCCCC3)C2)C1
InChIInChI=1S/C15H27N3O2/c1-20-13-9-14(16-10-13)15(19)18-8-5-12(11-18)17-6-3-2-4-7-17/h12-14,16H,2-11H2,1H3
InChIKeyHIUPLXIIBXLYJO-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.45
Rot. Bonds3

About (4-methoxypyrrolidin-2-yl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone

(4-methoxypyrrolidin-2-yl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone (PubChem CID 63167377) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is (4-methoxypyrrolidin-2-yl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-methoxypyrrolidin-2-yl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone
PubChem CID63167377
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name(4-methoxypyrrolidin-2-yl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone
SMILESCOC1CNC(C(=O)N2CCC(N3CCCCC3)C2)C1
InChIInChI=1S/C15H27N3O2/c1-20-13-9-14(16-10-13)15(19)18-8-5-12(11-18)17-6-3-2-4-7-17/h12-14,16H,2-11H2,1H3
InChIKeyHIUPLXIIBXLYJO-UHFFFAOYSA-N
XLogP0.45
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(4-methoxypyrrolidin-2-yl)methanone
CID 63151335
(4-hydroxypyrrolidin-2-yl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone;dihydrochloride
CID 119877822
1-(4-methoxypyrrolidine-2-carbonyl)piperidine-4-carboxylic acid
CID 61214955
(4-methoxypyrrolidin-2-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 112703596
1-(4-methoxypyrrolidine-2-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918579
(4-ethylpiperidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone
CID 61213634
[(2S,4S)-4-hydroxypyrrolidin-2-yl]-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone
CID 93375850
1-[4-(4-methoxypyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 55003223
1-[1-(4-methoxypyrrolidine-2-carbonyl)piperidin-4-yl]imidazolidin-2-one
CID 61213921
5-(3-piperidin-1-ylpyrrolidine-1-carbonyl)piperazin-2-one
CID 107436462
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-hydroxypyrrolidin-2-yl)methanone;dihydrochloride
CID 119881530
N-[1-(4-methoxypyrrolidine-2-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 61214062

Frequently Asked Questions

What is the IUPAC name of (4-methoxypyrrolidin-2-yl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-methoxypyrrolidin-2-yl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone (CID 63167377) is (4-methoxypyrrolidin-2-yl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-methoxypyrrolidin-2-yl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-methoxypyrrolidin-2-yl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone is COC1CNC(C(=O)N2CCC(N3CCCCC3)C2)C1.
What is the InChIKey of (4-methoxypyrrolidin-2-yl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone?
The InChIKey is HIUPLXIIBXLYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-20-13-9-14(16-10-13)15(19)18-8-5-12(11-18)17-6-3-2-4-7-17/h12-14,16H,2-11H2,1H3.
What are the key properties of (4-methoxypyrrolidin-2-yl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone?
(4-methoxypyrrolidin-2-yl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone has a molecular weight of 281.40 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxypyrrolidin-2-yl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 63167377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).