1-[3-(ethoxymethyl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one

C17H32N2O2 — CID 119786521

IUPAC1-[3-(ethoxymethyl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one
SMILESCCOCC1CCCN(C(=O)CC(C)C2CCNCC2)C1
InChIInChI=1S/C17H32N2O2/c1-3-21-13-15-5-4-10-19(12-15)17(20)11-14(2)16-6-8-18-9-7-16/h14-16,18H,3-13H2,1-2H3
InChIKeyDKJOHXLLINFEPE-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.29
Rot. Bonds6

About 1-[3-(ethoxymethyl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one

1-[3-(ethoxymethyl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one (PubChem CID 119786521) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 1-[3-(ethoxymethyl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one.

Molecular Properties

Compound Name1-[3-(ethoxymethyl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one
PubChem CID119786521
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name1-[3-(ethoxymethyl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one
SMILESCCOCC1CCCN(C(=O)CC(C)C2CCNCC2)C1
InChIInChI=1S/C17H32N2O2/c1-3-21-13-15-5-4-10-19(12-15)17(20)11-14(2)16-6-8-18-9-7-16/h14-16,18H,3-13H2,1-2H3
InChIKeyDKJOHXLLINFEPE-UHFFFAOYSA-N
XLogP2.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(ethoxymethyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119814348
1-[3-(methoxymethyl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119781766
1-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119809794
1-(4-ethylazepan-1-yl)-3-piperidin-4-ylbutan-1-one
CID 119794906
3-amino-1-[3-(ethoxymethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119786526
1-[3-(azepan-1-ylmethyl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride
CID 119875753
3-piperidin-4-yl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride
CID 119669978
3-piperidin-4-yl-1-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]butan-1-one
CID 119883770
N-methyl-1-(3-piperidin-4-ylbutanoyl)piperidine-3-carboxamide
CID 119783440
1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-fluorophenyl)-4-methylpentan-1-one
CID 110418641
1-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119880860
1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119859713

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethoxymethyl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one?
The IUPAC name of 1-[3-(ethoxymethyl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one (CID 119786521) is 1-[3-(ethoxymethyl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one.
What is the SMILES notation for 1-[3-(ethoxymethyl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one?
The canonical SMILES for 1-[3-(ethoxymethyl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one is CCOCC1CCCN(C(=O)CC(C)C2CCNCC2)C1.
What is the InChIKey of 1-[3-(ethoxymethyl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one?
The InChIKey is DKJOHXLLINFEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-3-21-13-15-5-4-10-19(12-15)17(20)11-14(2)16-6-8-18-9-7-16/h14-16,18H,3-13H2,1-2H3.
What are the key properties of 1-[3-(ethoxymethyl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one?
1-[3-(ethoxymethyl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one has a molecular weight of 296.45 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethoxymethyl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one is sourced from PubChem (CID 119786521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).