(4-methoxypyrrolidin-2-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone

C16H31N3O2 — CID 61215241

IUPAC(4-methoxypyrrolidin-2-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
SMILESCOC1CNC(C(=O)N2CCC(CN(C)C(C)C)CC2)C1
InChIInChI=1S/C16H31N3O2/c1-12(2)18(3)11-13-5-7-19(8-6-13)16(20)15-9-14(21-4)10-17-15/h12-15,17H,5-11H2,1-4H3
InChIKeyHACLKZACAZDOEA-UHFFFAOYSA-N
MW297.44 g/mol
LogP0.94
Rot. Bonds5

About (4-methoxypyrrolidin-2-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone

(4-methoxypyrrolidin-2-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone (PubChem CID 61215241) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is (4-methoxypyrrolidin-2-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxypyrrolidin-2-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
PubChem CID61215241
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name(4-methoxypyrrolidin-2-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
SMILESCOC1CNC(C(=O)N2CCC(CN(C)C(C)C)CC2)C1
InChIInChI=1S/C16H31N3O2/c1-12(2)18(3)11-13-5-7-19(8-6-13)16(20)15-9-14(21-4)10-17-15/h12-15,17H,5-11H2,1-4H3
InChIKeyHACLKZACAZDOEA-UHFFFAOYSA-N
XLogP0.94
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-methoxypyrrolidin-2-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

(4-ethylpiperidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone
CID 61213634
2-(dimethylamino)-1-[4-(4-methoxypyrrolidine-2-carbonyl)piperazin-1-yl]ethanone
CID 61214799
1-(4-methoxypyrrolidine-2-carbonyl)piperidine-4-carboxylic acid
CID 61214955
N-[1-(4-methoxypyrrolidine-2-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 61214062
azepan-2-yl-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 64563073
(4-methoxypyrrolidin-2-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 112703596
1-[4-(4-methoxypyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 55003223
1-(4-methoxypyrrolidine-2-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918579
5-[4-[[methyl(propan-2-yl)amino]methyl]piperidine-1-carbonyl]piperidin-2-one
CID 78968223
(3-hydroxy-3-propan-2-ylazetidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone
CID 107220116
1-[1-(4-methoxypyrrolidine-2-carbonyl)piperidin-4-yl]imidazolidin-2-one
CID 61213921
(4-methoxypyrrolidin-2-yl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone
CID 63167377

Frequently Asked Questions

What is the IUPAC name of (4-methoxypyrrolidin-2-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone?
The IUPAC name of (4-methoxypyrrolidin-2-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone (CID 61215241) is (4-methoxypyrrolidin-2-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-methoxypyrrolidin-2-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (4-methoxypyrrolidin-2-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone is COC1CNC(C(=O)N2CCC(CN(C)C(C)C)CC2)C1.
What is the InChIKey of (4-methoxypyrrolidin-2-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone?
The InChIKey is HACLKZACAZDOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-12(2)18(3)11-13-5-7-19(8-6-13)16(20)15-9-14(21-4)10-17-15/h12-15,17H,5-11H2,1-4H3.
What are the key properties of (4-methoxypyrrolidin-2-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone?
(4-methoxypyrrolidin-2-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone has a molecular weight of 297.44 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxypyrrolidin-2-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 61215241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).