4-cyano-N,N-dimethyl-4-(4-methylanilino)piperidine-1-carboxamide

C16H22N4O — CID 83268982

IUPAC4-cyano-N,N-dimethyl-4-(4-methylanilino)piperidine-1-carboxamide
SMILESCc1ccc(NC2(C#N)CCN(C(=O)N(C)C)CC2)cc1
InChIInChI=1S/C16H22N4O/c1-13-4-6-14(7-5-13)18-16(12-17)8-10-20(11-9-16)15(21)19(2)3/h4-7,18H,8-11H2,1-3H3
InChIKeyGMVRXUXJUJOIIK-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.45
Rot. Bonds2

About 4-cyano-N,N-dimethyl-4-(4-methylanilino)piperidine-1-carboxamide

4-cyano-N,N-dimethyl-4-(4-methylanilino)piperidine-1-carboxamide (PubChem CID 83268982) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-cyano-N,N-dimethyl-4-(4-methylanilino)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-cyano-N,N-dimethyl-4-(4-methylanilino)piperidine-1-carboxamide
PubChem CID83268982
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-cyano-N,N-dimethyl-4-(4-methylanilino)piperidine-1-carboxamide
SMILESCc1ccc(NC2(C#N)CCN(C(=O)N(C)C)CC2)cc1
InChIInChI=1S/C16H22N4O/c1-13-4-6-14(7-5-13)18-16(12-17)8-10-20(11-9-16)15(21)19(2)3/h4-7,18H,8-11H2,1-3H3
InChIKeyGMVRXUXJUJOIIK-UHFFFAOYSA-N
XLogP2.45
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N,N-dimethyl-4-(4-methylanilino)piperidine-1-carboxamide?
The IUPAC name of 4-cyano-N,N-dimethyl-4-(4-methylanilino)piperidine-1-carboxamide (CID 83268982) is 4-cyano-N,N-dimethyl-4-(4-methylanilino)piperidine-1-carboxamide.
What is the SMILES notation for 4-cyano-N,N-dimethyl-4-(4-methylanilino)piperidine-1-carboxamide?
The canonical SMILES for 4-cyano-N,N-dimethyl-4-(4-methylanilino)piperidine-1-carboxamide is Cc1ccc(NC2(C#N)CCN(C(=O)N(C)C)CC2)cc1.
What is the InChIKey of 4-cyano-N,N-dimethyl-4-(4-methylanilino)piperidine-1-carboxamide?
The InChIKey is GMVRXUXJUJOIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-13-4-6-14(7-5-13)18-16(12-17)8-10-20(11-9-16)15(21)19(2)3/h4-7,18H,8-11H2,1-3H3.
What are the key properties of 4-cyano-N,N-dimethyl-4-(4-methylanilino)piperidine-1-carboxamide?
4-cyano-N,N-dimethyl-4-(4-methylanilino)piperidine-1-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N,N-dimethyl-4-(4-methylanilino)piperidine-1-carboxamide is sourced from PubChem (CID 83268982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).