2-amino-1-[3-(dimethylamino)piperidin-1-yl]-2-(4-methylphenyl)ethanone

C16H25N3O — CID 106151707

IUPAC2-amino-1-[3-(dimethylamino)piperidin-1-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(C(N)C(=O)N2CCCC(N(C)C)C2)cc1
InChIInChI=1S/C16H25N3O/c1-12-6-8-13(9-7-12)15(17)16(20)19-10-4-5-14(11-19)18(2)3/h6-9,14-15H,4-5,10-11,17H2,1-3H3
InChIKeyVILMBJSQZNHGQQ-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.55
Rot. Bonds3

About 2-amino-1-[3-(dimethylamino)piperidin-1-yl]-2-(4-methylphenyl)ethanone

2-amino-1-[3-(dimethylamino)piperidin-1-yl]-2-(4-methylphenyl)ethanone (PubChem CID 106151707) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-amino-1-[3-(dimethylamino)piperidin-1-yl]-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-[3-(dimethylamino)piperidin-1-yl]-2-(4-methylphenyl)ethanone
PubChem CID106151707
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-amino-1-[3-(dimethylamino)piperidin-1-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(C(N)C(=O)N2CCCC(N(C)C)C2)cc1
InChIInChI=1S/C16H25N3O/c1-12-6-8-13(9-7-12)15(17)16(20)19-10-4-5-14(11-19)18(2)3/h6-9,14-15H,4-5,10-11,17H2,1-3H3
InChIKeyVILMBJSQZNHGQQ-UHFFFAOYSA-N
XLogP1.55
TPSA49.57 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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(azepan-1-yl)-2-(4-methylphenyl)ethanone
CID 106151029
2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 106312840
1-(4-acetyl-1,4-diazepan-1-yl)-2-amino-2-(4-methylphenyl)ethanone
CID 106151021
3-amino-1-[3-(dimethylamino)piperidin-1-yl]-2-phenylpropan-1-one;dihydrochloride
CID 119874478
2-amino-2-(4-methylphenyl)-1-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethanone;hydrochloride
CID 120668316
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-amino-2-(4-methylphenyl)ethanone
CID 106312449
(2S)-2-amino-1-[3-(dimethylamino)piperidin-1-yl]-3,3-dimethylbutan-1-one;dihydrochloride
CID 119874499
2-amino-N-cyclopentyl-N-methyl-2-(4-methylphenyl)acetamide
CID 106151212
2-amino-1-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 120670236
2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 106151455
2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668182
[3-(dimethylamino)piperidin-1-yl]-(2-hydroxy-4-methylphenyl)methanone
CID 63091098

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(dimethylamino)piperidin-1-yl]-2-(4-methylphenyl)ethanone?
The IUPAC name of 2-amino-1-[3-(dimethylamino)piperidin-1-yl]-2-(4-methylphenyl)ethanone (CID 106151707) is 2-amino-1-[3-(dimethylamino)piperidin-1-yl]-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-[3-(dimethylamino)piperidin-1-yl]-2-(4-methylphenyl)ethanone?
The canonical SMILES for 2-amino-1-[3-(dimethylamino)piperidin-1-yl]-2-(4-methylphenyl)ethanone is Cc1ccc(C(N)C(=O)N2CCCC(N(C)C)C2)cc1.
What is the InChIKey of 2-amino-1-[3-(dimethylamino)piperidin-1-yl]-2-(4-methylphenyl)ethanone?
The InChIKey is VILMBJSQZNHGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12-6-8-13(9-7-12)15(17)16(20)19-10-4-5-14(11-19)18(2)3/h6-9,14-15H,4-5,10-11,17H2,1-3H3.
What are the key properties of 2-amino-1-[3-(dimethylamino)piperidin-1-yl]-2-(4-methylphenyl)ethanone?
2-amino-1-[3-(dimethylamino)piperidin-1-yl]-2-(4-methylphenyl)ethanone has a molecular weight of 275.40 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(dimethylamino)piperidin-1-yl]-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 106151707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).