2-(4-aminopiperidin-1-yl)-1-(3-cyclobutylphenyl)ethanone

C17H24N2O — CID 114607681

IUPAC2-(4-aminopiperidin-1-yl)-1-(3-cyclobutylphenyl)ethanone
SMILESNC1CCN(CC(=O)c2cccc(C3CCC3)c2)CC1
InChIInChI=1S/C17H24N2O/c18-16-7-9-19(10-8-16)12-17(20)15-6-2-5-14(11-15)13-3-1-4-13/h2,5-6,11,13,16H,1,3-4,7-10,12,18H2
InChIKeyQHAZHTFAKNQXGB-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.56
Rot. Bonds4

About 2-(4-aminopiperidin-1-yl)-1-(3-cyclobutylphenyl)ethanone

2-(4-aminopiperidin-1-yl)-1-(3-cyclobutylphenyl)ethanone (PubChem CID 114607681) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-1-(3-cyclobutylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-1-(3-cyclobutylphenyl)ethanone
PubChem CID114607681
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-(4-aminopiperidin-1-yl)-1-(3-cyclobutylphenyl)ethanone
SMILESNC1CCN(CC(=O)c2cccc(C3CCC3)c2)CC1
InChIInChI=1S/C17H24N2O/c18-16-7-9-19(10-8-16)12-17(20)15-6-2-5-14(11-15)13-3-1-4-13/h2,5-6,11,13,16H,1,3-4,7-10,12,18H2
InChIKeyQHAZHTFAKNQXGB-UHFFFAOYSA-N
XLogP2.56
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminopiperidin-1-yl)-1-(3-methoxyphenyl)ethanone
CID 56828695
2-amino-1-(3-cyclohexylphenyl)ethanone
CID 83836181
3-amino-1-(3-cycloheptylphenyl)propan-1-one
CID 117365936
3-amino-1-(3-cyclobutylphenyl)pentan-1-one
CID 114607770
2-(1-aminocyclohexyl)-1-(3-cyclobutylphenyl)ethanone
CID 114607601
1-(3-cyclobutylphenyl)-2-(cyclopentylamino)ethanone
CID 114607490
1-(3-cyclobutylphenyl)piperidin-4-amine
CID 114605607
1-(3-cyclobutylphenyl)-2-propan-2-yloxyethanone
CID 105135206
1-(3-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 62024778
2-(3-aminopyrrolidin-1-yl)-1-(3,4-dimethylphenyl)ethanone
CID 56828796
3-(2-pyrrolidin-1-ylacetyl)benzoic acid
CID 115039403
1-(3-chlorophenyl)-2-(4-ethylpiperidin-1-yl)ethanone
CID 61421832

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-1-(3-cyclobutylphenyl)ethanone?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-1-(3-cyclobutylphenyl)ethanone (CID 114607681) is 2-(4-aminopiperidin-1-yl)-1-(3-cyclobutylphenyl)ethanone.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-1-(3-cyclobutylphenyl)ethanone?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-1-(3-cyclobutylphenyl)ethanone is NC1CCN(CC(=O)c2cccc(C3CCC3)c2)CC1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-1-(3-cyclobutylphenyl)ethanone?
The InChIKey is QHAZHTFAKNQXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c18-16-7-9-19(10-8-16)12-17(20)15-6-2-5-14(11-15)13-3-1-4-13/h2,5-6,11,13,16H,1,3-4,7-10,12,18H2.
What are the key properties of 2-(4-aminopiperidin-1-yl)-1-(3-cyclobutylphenyl)ethanone?
2-(4-aminopiperidin-1-yl)-1-(3-cyclobutylphenyl)ethanone has a molecular weight of 272.39 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-1-(3-cyclobutylphenyl)ethanone is sourced from PubChem (CID 114607681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).