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

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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).