2-propan-2-yloxy-1-[4-(4-propan-2-yloxybutyl)piperidin-1-yl]ethanone

C17H33NO3 — CID 167478681

IUPAC2-propan-2-yloxy-1-[4-(4-propan-2-yloxybutyl)piperidin-1-yl]ethanone
SMILESCC(C)OCCCCC1CCN(C(=O)COC(C)C)CC1
InChIInChI=1S/C17H33NO3/c1-14(2)20-12-6-5-7-16-8-10-18(11-9-16)17(19)13-21-15(3)4/h14-16H,5-13H2,1-4H3
InChIKeyKDGQVFDKSNWGEN-UHFFFAOYSA-N
MW299.45 g/mol
LogP3.25
Rot. Bonds9

About 2-propan-2-yloxy-1-[4-(4-propan-2-yloxybutyl)piperidin-1-yl]ethanone

2-propan-2-yloxy-1-[4-(4-propan-2-yloxybutyl)piperidin-1-yl]ethanone (PubChem CID 167478681) has the molecular formula C17H33NO3 and a molecular weight of 299.45 g/mol. Its IUPAC name is 2-propan-2-yloxy-1-[4-(4-propan-2-yloxybutyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-propan-2-yloxy-1-[4-(4-propan-2-yloxybutyl)piperidin-1-yl]ethanone
PubChem CID167478681
Molecular FormulaC17H33NO3
Molecular Weight299.45 g/mol
Exact Mass299.25
IUPAC Name2-propan-2-yloxy-1-[4-(4-propan-2-yloxybutyl)piperidin-1-yl]ethanone
SMILESCC(C)OCCCCC1CCN(C(=O)COC(C)C)CC1
InChIInChI=1S/C17H33NO3/c1-14(2)20-12-6-5-7-16-8-10-18(11-9-16)17(19)13-21-15(3)4/h14-16H,5-13H2,1-4H3
InChIKeyKDGQVFDKSNWGEN-UHFFFAOYSA-N
XLogP3.25
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.45
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-aminoethyl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 112603420
1-[4-(2-methylpropyl)piperidin-1-yl]-5-propan-2-yloxypentan-1-one
CID 165108720
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 112701498
1-(4-bromopiperidin-1-yl)-2-propan-2-yloxyethanone
CID 112603986
1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 178115862
3-methyl-1-[4-[[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]methyl]piperidin-1-yl]butan-2-one
CID 172604985
1-[4-(ethylamino)piperidin-1-yl]-5-propan-2-yloxypentan-1-one;molecular hydrogen
CID 166466880
1-[4-(1-aminoethyl)piperidin-1-yl]-3-propan-2-yloxypropan-1-one
CID 119517505
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one
CID 119484003
1-(4-methylpiperazin-1-yl)-2-[4-(2-propan-2-yloxyethyl)piperidin-1-yl]ethanone
CID 170569122
3,3-dimethyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]butanamide
CID 170087380
ethane;propan-2-yl 4-(3-hydroxypropyl)piperidine-1-carboxylate
CID 143188885

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-1-[4-(4-propan-2-yloxybutyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-propan-2-yloxy-1-[4-(4-propan-2-yloxybutyl)piperidin-1-yl]ethanone (CID 167478681) is 2-propan-2-yloxy-1-[4-(4-propan-2-yloxybutyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-propan-2-yloxy-1-[4-(4-propan-2-yloxybutyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-propan-2-yloxy-1-[4-(4-propan-2-yloxybutyl)piperidin-1-yl]ethanone is CC(C)OCCCCC1CCN(C(=O)COC(C)C)CC1.
What is the InChIKey of 2-propan-2-yloxy-1-[4-(4-propan-2-yloxybutyl)piperidin-1-yl]ethanone?
The InChIKey is KDGQVFDKSNWGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3/c1-14(2)20-12-6-5-7-16-8-10-18(11-9-16)17(19)13-21-15(3)4/h14-16H,5-13H2,1-4H3.
What are the key properties of 2-propan-2-yloxy-1-[4-(4-propan-2-yloxybutyl)piperidin-1-yl]ethanone?
2-propan-2-yloxy-1-[4-(4-propan-2-yloxybutyl)piperidin-1-yl]ethanone has a molecular weight of 299.45 g/mol, XLogP of 3.25, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-1-[4-(4-propan-2-yloxybutyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 167478681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).