4-amino-3-(3-methoxy-4-methylpiperidin-1-yl)-1-piperidin-1-ylbutan-1-one

C16H31N3O2 — CID 102965004

IUPAC4-amino-3-(3-methoxy-4-methylpiperidin-1-yl)-1-piperidin-1-ylbutan-1-one
SMILESCOC1CN(C(CN)CC(=O)N2CCCCC2)CCC1C
InChIInChI=1S/C16H31N3O2/c1-13-6-9-19(12-15(13)21-2)14(11-17)10-16(20)18-7-4-3-5-8-18/h13-15H,3-12,17H2,1-2H3
InChIKeyRHENDVFKUZHEHN-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.07
Rot. Bonds5

About 4-amino-3-(3-methoxy-4-methylpiperidin-1-yl)-1-piperidin-1-ylbutan-1-one

4-amino-3-(3-methoxy-4-methylpiperidin-1-yl)-1-piperidin-1-ylbutan-1-one (PubChem CID 102965004) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 4-amino-3-(3-methoxy-4-methylpiperidin-1-yl)-1-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-amino-3-(3-methoxy-4-methylpiperidin-1-yl)-1-piperidin-1-ylbutan-1-one
PubChem CID102965004
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name4-amino-3-(3-methoxy-4-methylpiperidin-1-yl)-1-piperidin-1-ylbutan-1-one
SMILESCOC1CN(C(CN)CC(=O)N2CCCCC2)CCC1C
InChIInChI=1S/C16H31N3O2/c1-13-6-9-19(12-15(13)21-2)14(11-17)10-16(20)18-7-4-3-5-8-18/h13-15H,3-12,17H2,1-2H3
InChIKeyRHENDVFKUZHEHN-UHFFFAOYSA-N
XLogP1.07
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-(2-methyl-1,4-oxazepan-4-yl)-1-piperidin-1-ylbutan-1-one
CID 66431730
4-amino-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-pyrrolidin-1-ylbutan-1-one
CID 104958068
3-amino-2-(3-methoxy-4-methylpiperidin-1-yl)propanoic acid
CID 102964894
4,4-dimethoxy-2-(3-methoxy-4-methylpiperidin-1-yl)butan-1-amine
CID 102964864
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-amino-1-pyrrolidin-1-ylbutan-1-one
CID 115559409
4-amino-3-(2-methylazepan-1-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 66430485
4-amino-3-(2-methylpyrrolidin-1-yl)-1-piperidin-1-ylbutan-1-one
CID 66430499
4-amino-1-piperidin-1-yl-3-(2-propan-2-ylpyrrolidin-1-yl)butan-1-one
CID 66430100
2-(3-methoxy-4-methylpiperidin-1-yl)pentan-3-one
CID 102960462
4-amino-3-(2,5-dimethylmorpholin-4-yl)-1-piperidin-1-ylbutan-1-one
CID 66432542
2-(1-aminocyclohexyl)-1-(3-methoxy-4-methylpiperidin-1-yl)ethanone
CID 102957332
1-(3-methoxy-4-methylpiperidin-1-yl)-2-propylsulfanylethanone
CID 154754039

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3-methoxy-4-methylpiperidin-1-yl)-1-piperidin-1-ylbutan-1-one?
The IUPAC name of 4-amino-3-(3-methoxy-4-methylpiperidin-1-yl)-1-piperidin-1-ylbutan-1-one (CID 102965004) is 4-amino-3-(3-methoxy-4-methylpiperidin-1-yl)-1-piperidin-1-ylbutan-1-one.
What is the SMILES notation for 4-amino-3-(3-methoxy-4-methylpiperidin-1-yl)-1-piperidin-1-ylbutan-1-one?
The canonical SMILES for 4-amino-3-(3-methoxy-4-methylpiperidin-1-yl)-1-piperidin-1-ylbutan-1-one is COC1CN(C(CN)CC(=O)N2CCCCC2)CCC1C.
What is the InChIKey of 4-amino-3-(3-methoxy-4-methylpiperidin-1-yl)-1-piperidin-1-ylbutan-1-one?
The InChIKey is RHENDVFKUZHEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-13-6-9-19(12-15(13)21-2)14(11-17)10-16(20)18-7-4-3-5-8-18/h13-15H,3-12,17H2,1-2H3.
What are the key properties of 4-amino-3-(3-methoxy-4-methylpiperidin-1-yl)-1-piperidin-1-ylbutan-1-one?
4-amino-3-(3-methoxy-4-methylpiperidin-1-yl)-1-piperidin-1-ylbutan-1-one has a molecular weight of 297.44 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3-methoxy-4-methylpiperidin-1-yl)-1-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 102965004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).