1-(3-aminopiperidin-1-yl)-3-(4-methoxyphenyl)butan-1-one

C16H24N2O2 — CID 119380064

IUPAC1-(3-aminopiperidin-1-yl)-3-(4-methoxyphenyl)butan-1-one
SMILESCOc1ccc(C(C)CC(=O)N2CCCC(N)C2)cc1
InChIInChI=1S/C16H24N2O2/c1-12(13-5-7-15(20-2)8-6-13)10-16(19)18-9-3-4-14(17)11-18/h5-8,12,14H,3-4,9-11,17H2,1-2H3
InChIKeyJJVGLTOJDQLDTN-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.14
Rot. Bonds4

About 1-(3-aminopiperidin-1-yl)-3-(4-methoxyphenyl)butan-1-one

1-(3-aminopiperidin-1-yl)-3-(4-methoxyphenyl)butan-1-one (PubChem CID 119380064) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-3-(4-methoxyphenyl)butan-1-one.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-3-(4-methoxyphenyl)butan-1-one
PubChem CID119380064
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(3-aminopiperidin-1-yl)-3-(4-methoxyphenyl)butan-1-one
SMILESCOc1ccc(C(C)CC(=O)N2CCCC(N)C2)cc1
InChIInChI=1S/C16H24N2O2/c1-12(13-5-7-15(20-2)8-6-13)10-16(19)18-9-3-4-14(17)11-18/h5-8,12,14H,3-4,9-11,17H2,1-2H3
InChIKeyJJVGLTOJDQLDTN-UHFFFAOYSA-N
XLogP2.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminopiperidin-1-yl)-3-(4-propan-2-ylphenyl)butan-1-one
CID 119378198
(3S)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-(4-methoxyphenyl)butan-1-one
CID 97033127
1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-(4-methoxyphenyl)butan-1-one
CID 71922615
3-(4-methoxyphenyl)-1-(3-methylpiperazin-1-yl)butan-1-one
CID 119579126
1-(3-aminopiperidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 119380301
1-(3-aminopiperidin-1-yl)-3-(4-methoxyphenoxy)propan-1-one;hydrochloride
CID 119377741
1-(3-aminopiperidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone;hydrochloride
CID 119380300
1-(3-aminopiperidin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride
CID 119378452
1-[3-(furan-2-yl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)butan-1-one
CID 110421523
(3S)-1-[(3R)-3-aminopyrrolidin-1-yl]-3-pyridin-4-ylbutan-1-one
CID 125146575
1-[3-(1-aminoethyl)piperidin-1-yl]-3-(3-methoxyphenyl)butan-1-one
CID 119595798
3-(hydroxymethyl)-N-[3-(4-methoxyphenyl)butyl]piperidine-1-carboxamide
CID 71868016

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-3-(4-methoxyphenyl)butan-1-one?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-3-(4-methoxyphenyl)butan-1-one (CID 119380064) is 1-(3-aminopiperidin-1-yl)-3-(4-methoxyphenyl)butan-1-one.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-3-(4-methoxyphenyl)butan-1-one?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-3-(4-methoxyphenyl)butan-1-one is COc1ccc(C(C)CC(=O)N2CCCC(N)C2)cc1.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-3-(4-methoxyphenyl)butan-1-one?
The InChIKey is JJVGLTOJDQLDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(13-5-7-15(20-2)8-6-13)10-16(19)18-9-3-4-14(17)11-18/h5-8,12,14H,3-4,9-11,17H2,1-2H3.
What are the key properties of 1-(3-aminopiperidin-1-yl)-3-(4-methoxyphenyl)butan-1-one?
1-(3-aminopiperidin-1-yl)-3-(4-methoxyphenyl)butan-1-one has a molecular weight of 276.38 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)-3-(4-methoxyphenyl)butan-1-one is sourced from PubChem (CID 119380064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).