4-[4-[3-[1-(3-oxobutyl)piperidin-4-yl]propyl]piperidin-1-yl]butan-2-one

C21H38N2O2 — CID 59793355

IUPAC4-[4-[3-[1-(3-oxobutyl)piperidin-4-yl]propyl]piperidin-1-yl]butan-2-one
SMILESCC(=O)CCN1CCC(CCCC2CCN(CCC(C)=O)CC2)CC1
InChIInChI=1S/C21H38N2O2/c1-18(24)6-12-22-14-8-20(9-15-22)4-3-5-21-10-16-23(17-11-21)13-7-19(2)25/h20-21H,3-17H2,1-2H3
InChIKeyIIPQLILLBCDCPZ-UHFFFAOYSA-N
MW350.55 g/mol
LogP3.54
Rot. Bonds10

About 4-[4-[3-[1-(3-oxobutyl)piperidin-4-yl]propyl]piperidin-1-yl]butan-2-one

4-[4-[3-[1-(3-oxobutyl)piperidin-4-yl]propyl]piperidin-1-yl]butan-2-one (PubChem CID 59793355) has the molecular formula C21H38N2O2 and a molecular weight of 350.55 g/mol. Its IUPAC name is 4-[4-[3-[1-(3-oxobutyl)piperidin-4-yl]propyl]piperidin-1-yl]butan-2-one.

Molecular Properties

Compound Name4-[4-[3-[1-(3-oxobutyl)piperidin-4-yl]propyl]piperidin-1-yl]butan-2-one
PubChem CID59793355
Molecular FormulaC21H38N2O2
Molecular Weight350.55 g/mol
Exact Mass350.29
IUPAC Name4-[4-[3-[1-(3-oxobutyl)piperidin-4-yl]propyl]piperidin-1-yl]butan-2-one
SMILESCC(=O)CCN1CCC(CCCC2CCN(CCC(C)=O)CC2)CC1
InChIInChI=1S/C21H38N2O2/c1-18(24)6-12-22-14-8-20(9-15-22)4-3-5-21-10-16-23(17-11-21)13-7-19(2)25/h20-21H,3-17H2,1-2H3
InChIKeyIIPQLILLBCDCPZ-UHFFFAOYSA-N
XLogP3.54
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[4-[3-[1-(3-oxobutyl)piperidin-4-yl]propyl]piperidin-1-yl]butan-2-one with MolForge

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Related Compounds

4-(4-ethylpiperidin-1-yl)butan-2-one
CID 20686954
4-(4-propan-2-ylpiperidin-1-yl)butan-2-one
CID 57238765
3-[[4-[3-[1-(2-methylidene-3-oxobutyl)piperidin-4-yl]propyl]piperidin-1-yl]methyl]but-3-en-2-one
CID 12944323
N-[[1-(5-oxohexyl)piperidin-4-yl]methyl]acetamide
CID 102736688
3,3-dimethylpentyl 3-[4-[3-[1-[3-(3,3-dimethylpentoxy)-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]propanoate
CID 123904684
N-(10-acetamidodecyl)-3-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]propanamide
CID 101463324
3-[4-[3-[1-(3-amino-3-iminopropyl)piperidin-4-yl]propyl]piperidin-1-yl]propanimidamide
CID 4108841
5-[3-(hydroxymethyl)pyrrolidin-1-yl]pentan-2-one
CID 112626363
5-cyclopentylpentan-2-one
CID 18433881
4-(4-ethylpiperazin-1-yl)butan-2-one
CID 20802873
6-[2,3-dihydroxypropyl(4-oxopentyl)amino]-1-[4-[3-(1-propylpiperidin-4-yl)propyl]piperidin-1-yl]hexan-3-one;10-[4-[3-(1-propylpiperidin-4-yl)propyl]piperidin-1-yl]decane-2,8-dione
CID 160846228
4-[4-(3,3-dimethylbutyl)piperazin-1-yl]butan-2-one
CID 58171906

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[1-(3-oxobutyl)piperidin-4-yl]propyl]piperidin-1-yl]butan-2-one?
The IUPAC name of 4-[4-[3-[1-(3-oxobutyl)piperidin-4-yl]propyl]piperidin-1-yl]butan-2-one (CID 59793355) is 4-[4-[3-[1-(3-oxobutyl)piperidin-4-yl]propyl]piperidin-1-yl]butan-2-one.
What is the SMILES notation for 4-[4-[3-[1-(3-oxobutyl)piperidin-4-yl]propyl]piperidin-1-yl]butan-2-one?
The canonical SMILES for 4-[4-[3-[1-(3-oxobutyl)piperidin-4-yl]propyl]piperidin-1-yl]butan-2-one is CC(=O)CCN1CCC(CCCC2CCN(CCC(C)=O)CC2)CC1.
What is the InChIKey of 4-[4-[3-[1-(3-oxobutyl)piperidin-4-yl]propyl]piperidin-1-yl]butan-2-one?
The InChIKey is IIPQLILLBCDCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2O2/c1-18(24)6-12-22-14-8-20(9-15-22)4-3-5-21-10-16-23(17-11-21)13-7-19(2)25/h20-21H,3-17H2,1-2H3.
What are the key properties of 4-[4-[3-[1-(3-oxobutyl)piperidin-4-yl]propyl]piperidin-1-yl]butan-2-one?
4-[4-[3-[1-(3-oxobutyl)piperidin-4-yl]propyl]piperidin-1-yl]butan-2-one has a molecular weight of 350.55 g/mol, XLogP of 3.54, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-[1-(3-oxobutyl)piperidin-4-yl]propyl]piperidin-1-yl]butan-2-one is sourced from PubChem (CID 59793355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).