4-methyl-1-[4-[(1-methylpyrrolidin-3-yl)methoxy]piperidin-1-yl]pentan-3-one

C17H32N2O2 — CID 171800321

IUPAC4-methyl-1-[4-[(1-methylpyrrolidin-3-yl)methoxy]piperidin-1-yl]pentan-3-one
SMILESCC(C)C(=O)CCN1CCC(OCC2CCN(C)C2)CC1
InChIInChI=1S/C17H32N2O2/c1-14(2)17(20)7-11-19-9-5-16(6-10-19)21-13-15-4-8-18(3)12-15/h14-16H,4-13H2,1-3H3
InChIKeyIVPHTKLWFXQGFQ-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.03
Rot. Bonds7

About 4-methyl-1-[4-[(1-methylpyrrolidin-3-yl)methoxy]piperidin-1-yl]pentan-3-one

4-methyl-1-[4-[(1-methylpyrrolidin-3-yl)methoxy]piperidin-1-yl]pentan-3-one (PubChem CID 171800321) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 4-methyl-1-[4-[(1-methylpyrrolidin-3-yl)methoxy]piperidin-1-yl]pentan-3-one.

Molecular Properties

Compound Name4-methyl-1-[4-[(1-methylpyrrolidin-3-yl)methoxy]piperidin-1-yl]pentan-3-one
PubChem CID171800321
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name4-methyl-1-[4-[(1-methylpyrrolidin-3-yl)methoxy]piperidin-1-yl]pentan-3-one
SMILESCC(C)C(=O)CCN1CCC(OCC2CCN(C)C2)CC1
InChIInChI=1S/C17H32N2O2/c1-14(2)17(20)7-11-19-9-5-16(6-10-19)21-13-15-4-8-18(3)12-15/h14-16H,4-13H2,1-3H3
InChIKeyIVPHTKLWFXQGFQ-UHFFFAOYSA-N
XLogP2.03
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[4-[(1-methylpyrrolidin-3-yl)methoxy]piperidin-1-yl]pentan-3-one?
The IUPAC name of 4-methyl-1-[4-[(1-methylpyrrolidin-3-yl)methoxy]piperidin-1-yl]pentan-3-one (CID 171800321) is 4-methyl-1-[4-[(1-methylpyrrolidin-3-yl)methoxy]piperidin-1-yl]pentan-3-one.
What is the SMILES notation for 4-methyl-1-[4-[(1-methylpyrrolidin-3-yl)methoxy]piperidin-1-yl]pentan-3-one?
The canonical SMILES for 4-methyl-1-[4-[(1-methylpyrrolidin-3-yl)methoxy]piperidin-1-yl]pentan-3-one is CC(C)C(=O)CCN1CCC(OCC2CCN(C)C2)CC1.
What is the InChIKey of 4-methyl-1-[4-[(1-methylpyrrolidin-3-yl)methoxy]piperidin-1-yl]pentan-3-one?
The InChIKey is IVPHTKLWFXQGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-14(2)17(20)7-11-19-9-5-16(6-10-19)21-13-15-4-8-18(3)12-15/h14-16H,4-13H2,1-3H3.
What are the key properties of 4-methyl-1-[4-[(1-methylpyrrolidin-3-yl)methoxy]piperidin-1-yl]pentan-3-one?
4-methyl-1-[4-[(1-methylpyrrolidin-3-yl)methoxy]piperidin-1-yl]pentan-3-one has a molecular weight of 296.45 g/mol, XLogP of 2.03, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[4-[(1-methylpyrrolidin-3-yl)methoxy]piperidin-1-yl]pentan-3-one is sourced from PubChem (CID 171800321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).