4-(2,3-dimethylanilino)-N,N-dimethylpiperidine-1-carboxamide

C16H25N3O — CID 83236371

IUPAC4-(2,3-dimethylanilino)-N,N-dimethylpiperidine-1-carboxamide
SMILESCc1cccc(NC2CCN(C(=O)N(C)C)CC2)c1C
InChIInChI=1S/C16H25N3O/c1-12-6-5-7-15(13(12)2)17-14-8-10-19(11-9-14)16(20)18(3)4/h5-7,14,17H,8-11H2,1-4H3
InChIKeyFJVZHMSQEPGTDC-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.86
Rot. Bonds2

About 4-(2,3-dimethylanilino)-N,N-dimethylpiperidine-1-carboxamide

4-(2,3-dimethylanilino)-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 83236371) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-(2,3-dimethylanilino)-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2,3-dimethylanilino)-N,N-dimethylpiperidine-1-carboxamide
PubChem CID83236371
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name4-(2,3-dimethylanilino)-N,N-dimethylpiperidine-1-carboxamide
SMILESCc1cccc(NC2CCN(C(=O)N(C)C)CC2)c1C
InChIInChI=1S/C16H25N3O/c1-12-6-5-7-15(13(12)2)17-14-8-10-19(11-9-14)16(20)18(3)4/h5-7,14,17H,8-11H2,1-4H3
InChIKeyFJVZHMSQEPGTDC-UHFFFAOYSA-N
XLogP2.86
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylanilino)-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-(2,3-dimethylanilino)-N,N-dimethylpiperidine-1-carboxamide (CID 83236371) is 4-(2,3-dimethylanilino)-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(2,3-dimethylanilino)-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-(2,3-dimethylanilino)-N,N-dimethylpiperidine-1-carboxamide is Cc1cccc(NC2CCN(C(=O)N(C)C)CC2)c1C.
What is the InChIKey of 4-(2,3-dimethylanilino)-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is FJVZHMSQEPGTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12-6-5-7-15(13(12)2)17-14-8-10-19(11-9-14)16(20)18(3)4/h5-7,14,17H,8-11H2,1-4H3.
What are the key properties of 4-(2,3-dimethylanilino)-N,N-dimethylpiperidine-1-carboxamide?
4-(2,3-dimethylanilino)-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylanilino)-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 83236371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).