2-amino-1-[4-(2,3-dimethylanilino)piperidin-1-yl]ethanone

C15H23N3O — CID 67480098

IUPAC2-amino-1-[4-(2,3-dimethylanilino)piperidin-1-yl]ethanone
SMILESCc1cccc(NC2CCN(C(=O)CN)CC2)c1C
InChIInChI=1S/C15H23N3O/c1-11-4-3-5-14(12(11)2)17-13-6-8-18(9-7-13)15(19)10-16/h3-5,13,17H,6-10,16H2,1-2H3
InChIKeySEIZXMPFYIAKDD-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.67
Rot. Bonds3

About 2-amino-1-[4-(2,3-dimethylanilino)piperidin-1-yl]ethanone

2-amino-1-[4-(2,3-dimethylanilino)piperidin-1-yl]ethanone (PubChem CID 67480098) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-amino-1-[4-(2,3-dimethylanilino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-(2,3-dimethylanilino)piperidin-1-yl]ethanone
PubChem CID67480098
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-amino-1-[4-(2,3-dimethylanilino)piperidin-1-yl]ethanone
SMILESCc1cccc(NC2CCN(C(=O)CN)CC2)c1C
InChIInChI=1S/C15H23N3O/c1-11-4-3-5-14(12(11)2)17-13-6-8-18(9-7-13)15(19)10-16/h3-5,13,17H,6-10,16H2,1-2H3
InChIKeySEIZXMPFYIAKDD-UHFFFAOYSA-N
XLogP1.67
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-[4-(2,3-dimethylanilino)piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,3-dimethylanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83236371
2-amino-1-[4-(3-methylanilino)piperidin-1-yl]ethanone;dihydrochloride
CID 119892722
2-[4-(2,3-dimethylanilino)piperidin-1-yl]-N,N-dimethylacetamide
CID 43765633
2-amino-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119828409
methyl 3-[(1-carbamoylpiperidin-4-yl)amino]-2-methylbenzoate
CID 43784592
ethyl 4-[3-(2,3-dimethylanilino)-3-oxopropanoyl]piperazine-1-carboxylate
CID 108950321
3-(2,3-dimethylanilino)-1-piperidin-1-ylpropan-1-one
CID 109013836
N-(2,3-dimethylphenyl)thian-4-amine
CID 43511316
1-[4-[2-methyl-3-(propan-2-ylsulfanylmethyl)anilino]piperidin-1-yl]ethanone
CID 75515157
N-(2,3-dimethylphenyl)-3-(4-formylpiperazin-1-yl)-3-oxopropanamide
CID 108944753
2-[4-(7-aminoheptanoyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 119833586
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]azanium
CID 9288048

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(2,3-dimethylanilino)piperidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[4-(2,3-dimethylanilino)piperidin-1-yl]ethanone (CID 67480098) is 2-amino-1-[4-(2,3-dimethylanilino)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[4-(2,3-dimethylanilino)piperidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[4-(2,3-dimethylanilino)piperidin-1-yl]ethanone is Cc1cccc(NC2CCN(C(=O)CN)CC2)c1C.
What is the InChIKey of 2-amino-1-[4-(2,3-dimethylanilino)piperidin-1-yl]ethanone?
The InChIKey is SEIZXMPFYIAKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-4-3-5-14(12(11)2)17-13-6-8-18(9-7-13)15(19)10-16/h3-5,13,17H,6-10,16H2,1-2H3.
What are the key properties of 2-amino-1-[4-(2,3-dimethylanilino)piperidin-1-yl]ethanone?
2-amino-1-[4-(2,3-dimethylanilino)piperidin-1-yl]ethanone has a molecular weight of 261.37 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(2,3-dimethylanilino)piperidin-1-yl]ethanone is sourced from PubChem (CID 67480098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).