(3-methoxypyrrolidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone

C13H25N3O2 — CID 126752724

IUPAC(3-methoxypyrrolidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCOC1CCN(C(=O)N2CCN(C(C)C)CC2)C1
InChIInChI=1S/C13H25N3O2/c1-11(2)14-6-8-15(9-7-14)13(17)16-5-4-12(10-16)18-3/h11-12H,4-10H2,1-3H3
InChIKeyLXEWYOIZACUARN-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.85
Rot. Bonds2

About (3-methoxypyrrolidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone

(3-methoxypyrrolidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 126752724) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is (3-methoxypyrrolidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-methoxypyrrolidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID126752724
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name(3-methoxypyrrolidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCOC1CCN(C(=O)N2CCN(C(C)C)CC2)C1
InChIInChI=1S/C13H25N3O2/c1-11(2)14-6-8-15(9-7-14)13(17)16-5-4-12(10-16)18-3/h11-12H,4-10H2,1-3H3
InChIKeyLXEWYOIZACUARN-UHFFFAOYSA-N
XLogP0.85
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylpiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 90447182
1-(3-methoxypyrrolidine-1-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984110
(2S)-2-amino-1-[(3R)-3-methoxypyrrolidin-1-yl]propan-1-one
CID 66564457
1-(3-methoxypyrrolidin-1-yl)ethanone
CID 19039602
1-(3-methoxypyrrolidin-1-yl)-3-methyl-2-sulfanylbutan-1-one
CID 107037146
methyl (3S)-3-methoxypyrrolidine-1-carboxylate
CID 58826696
methyl (3R)-3-methoxypyrrolidine-1-carboxylate
CID 123673110
2-(3-methoxypyrrolidin-1-yl)propanoic acid
CID 103535131
2-bromo-1-(3-methoxypyrrolidin-1-yl)-3-methylbutan-1-one
CID 103531419
4-(4-methoxypiperidine-1-carbonyl)-1,4-diazepane-1-carboxylic acid
CID 67493633
4-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one
CID 103540685
2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoacetamide
CID 90229138

Frequently Asked Questions

What is the IUPAC name of (3-methoxypyrrolidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (3-methoxypyrrolidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone (CID 126752724) is (3-methoxypyrrolidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-methoxypyrrolidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3-methoxypyrrolidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone is COC1CCN(C(=O)N2CCN(C(C)C)CC2)C1.
What is the InChIKey of (3-methoxypyrrolidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is LXEWYOIZACUARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-11(2)14-6-8-15(9-7-14)13(17)16-5-4-12(10-16)18-3/h11-12H,4-10H2,1-3H3.
What are the key properties of (3-methoxypyrrolidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
(3-methoxypyrrolidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 255.36 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxypyrrolidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 126752724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).