3-methyl-1-[4-[1-[2-(propan-2-ylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]butan-2-one

C20H39N3O2 — CID 176578664

IUPAC3-methyl-1-[4-[1-[2-(propan-2-ylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]butan-2-one
SMILESCC(C)NCCN1CCC(OC2CCN(CC(=O)C(C)C)CC2)CC1
InChIInChI=1S/C20H39N3O2/c1-16(2)20(24)15-23-12-7-19(8-13-23)25-18-5-10-22(11-6-18)14-9-21-17(3)4/h16-19,21H,5-15H2,1-4H3
InChIKeyZVGVHAXENVHORQ-UHFFFAOYSA-N
MW353.55 g/mol
LogP2.15
Rot. Bonds9

About 3-methyl-1-[4-[1-[2-(propan-2-ylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]butan-2-one

3-methyl-1-[4-[1-[2-(propan-2-ylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]butan-2-one (PubChem CID 176578664) has the molecular formula C20H39N3O2 and a molecular weight of 353.55 g/mol. Its IUPAC name is 3-methyl-1-[4-[1-[2-(propan-2-ylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]butan-2-one.

Molecular Properties

Compound Name3-methyl-1-[4-[1-[2-(propan-2-ylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]butan-2-one
PubChem CID176578664
Molecular FormulaC20H39N3O2
Molecular Weight353.55 g/mol
Exact Mass353.30
IUPAC Name3-methyl-1-[4-[1-[2-(propan-2-ylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]butan-2-one
SMILESCC(C)NCCN1CCC(OC2CCN(CC(=O)C(C)C)CC2)CC1
InChIInChI=1S/C20H39N3O2/c1-16(2)20(24)15-23-12-7-19(8-13-23)25-18-5-10-22(11-6-18)14-9-21-17(3)4/h16-19,21H,5-15H2,1-4H3
InChIKeyZVGVHAXENVHORQ-UHFFFAOYSA-N
XLogP2.15
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.55
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-1-[4-[1-[2-(propan-2-ylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]butan-2-one with MolForge

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Related Compounds

1-[4-[3-(Tert-butylamino)cyclobutyl]oxypiperidin-1-yl]-3-methylbutan-2-one
CID 126654818
3-Methyl-1-[4-[3-(propan-2-ylamino)cyclobutyl]oxypiperidin-1-yl]butan-2-one
CID 134489416
2-[[(2R)-3-methylbutan-2-yl]amino]-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone
CID 155458223
3-Methyl-1-[4-[3-(2-methylbutan-2-ylamino)cyclobutyl]oxypiperidin-1-yl]butan-2-one
CID 155468760
Ethane;3-methyl-1-(4-piperidin-4-ylpiperazin-1-yl)butan-2-one;vanadium
CID 172604282
3-Methyl-1-(4-piperidin-4-yloxypiperidin-1-yl)butan-2-one
CID 172604303
1-(4-Piperidin-4-yloxypiperidin-1-yl)butan-2-one
CID 172604470
Ethane;3-methyl-1-(4-piperidin-4-ylpiperazin-1-yl)butan-2-one
CID 172604832
3-Methyl-1-[4-[2-(propan-2-ylamino)ethoxy]piperidin-1-yl]butan-2-one;molecular hydrogen
CID 176575738
2-[4-(1-ethylpiperidin-4-yl)oxypiperidin-1-yl]-N-[2-(propan-2-ylamino)ethyl]acetamide;molecular hydrogen
CID 176575925
1-[4-[1-[2-(Ethylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]-3-methylbutan-2-one;molecular hydrogen
CID 176576637
1-[4-[1-[2-(Ethylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]-3-methylbutan-2-one
CID 176576638

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-[1-[2-(propan-2-ylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]butan-2-one?
The IUPAC name of 3-methyl-1-[4-[1-[2-(propan-2-ylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]butan-2-one (CID 176578664) is 3-methyl-1-[4-[1-[2-(propan-2-ylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]butan-2-one.
What is the SMILES notation for 3-methyl-1-[4-[1-[2-(propan-2-ylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]butan-2-one?
The canonical SMILES for 3-methyl-1-[4-[1-[2-(propan-2-ylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]butan-2-one is CC(C)NCCN1CCC(OC2CCN(CC(=O)C(C)C)CC2)CC1.
What is the InChIKey of 3-methyl-1-[4-[1-[2-(propan-2-ylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]butan-2-one?
The InChIKey is ZVGVHAXENVHORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3O2/c1-16(2)20(24)15-23-12-7-19(8-13-23)25-18-5-10-22(11-6-18)14-9-21-17(3)4/h16-19,21H,5-15H2,1-4H3.
What are the key properties of 3-methyl-1-[4-[1-[2-(propan-2-ylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]butan-2-one?
3-methyl-1-[4-[1-[2-(propan-2-ylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]butan-2-one has a molecular weight of 353.55 g/mol, XLogP of 2.15, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-[1-[2-(propan-2-ylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]butan-2-one is sourced from PubChem (CID 176578664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).