1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-pyridin-3-ylbutan-1-one

C16H25N3O — CID 120819647

IUPAC1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-pyridin-3-ylbutan-1-one
SMILESCC(CC(=O)N1CCC(N)C(C)(C)C1)c1cccnc1
InChIInChI=1S/C16H25N3O/c1-12(13-5-4-7-18-10-13)9-15(20)19-8-6-14(17)16(2,3)11-19/h4-5,7,10,12,14H,6,8-9,11,17H2,1-3H3
InChIKeyOYBWJPSPROFIAR-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.16
Rot. Bonds3

About 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-pyridin-3-ylbutan-1-one

1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-pyridin-3-ylbutan-1-one (PubChem CID 120819647) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-pyridin-3-ylbutan-1-one.

Molecular Properties

Compound Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-pyridin-3-ylbutan-1-one
PubChem CID120819647
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-pyridin-3-ylbutan-1-one
SMILESCC(CC(=O)N1CCC(N)C(C)(C)C1)c1cccnc1
InChIInChI=1S/C16H25N3O/c1-12(13-5-4-7-18-10-13)9-15(20)19-8-6-14(17)16(2,3)11-19/h4-5,7,10,12,14H,6,8-9,11,17H2,1-3H3
InChIKeyOYBWJPSPROFIAR-UHFFFAOYSA-N
XLogP2.16
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-pyridin-3-yloxyethanone
CID 120818044
1-(3-methylpiperidin-1-yl)-3-pyridin-3-ylbutan-1-one
CID 110649410
1-piperazin-1-yl-3-pyridin-3-ylbutan-1-one
CID 82510316
1-(4-aminopiperidin-1-yl)-3-phenylbutan-1-one
CID 72638559
ethyl 3-pyridin-3-ylbutanoate
CID 12727116
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-pyridin-3-ylbutan-1-one
CID 110648962
1-(1-adamantyl)-3-pyridin-3-ylbutan-1-one
CID 23355090
(3S)-1-[(3R)-3-aminopyrrolidin-1-yl]-3-pyridin-4-ylbutan-1-one
CID 125146575
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone
CID 120819643
1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 115276545
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one
CID 115269770
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methylphenyl)ethanone
CID 115269778

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-pyridin-3-ylbutan-1-one?
The IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-pyridin-3-ylbutan-1-one (CID 120819647) is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-pyridin-3-ylbutan-1-one.
What is the SMILES notation for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-pyridin-3-ylbutan-1-one?
The canonical SMILES for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-pyridin-3-ylbutan-1-one is CC(CC(=O)N1CCC(N)C(C)(C)C1)c1cccnc1.
What is the InChIKey of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-pyridin-3-ylbutan-1-one?
The InChIKey is OYBWJPSPROFIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12(13-5-4-7-18-10-13)9-15(20)19-8-6-14(17)16(2,3)11-19/h4-5,7,10,12,14H,6,8-9,11,17H2,1-3H3.
What are the key properties of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-pyridin-3-ylbutan-1-one?
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-pyridin-3-ylbutan-1-one has a molecular weight of 275.40 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-pyridin-3-ylbutan-1-one is sourced from PubChem (CID 120819647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).