4-cyano-N-[[4-(diethylamino)phenyl]methyl]piperidine-1-carboxamide

C18H26N4O — CID 48957963

IUPAC4-cyano-N-[[4-(diethylamino)phenyl]methyl]piperidine-1-carboxamide
SMILESCCN(CC)c1ccc(CNC(=O)N2CCC(C#N)CC2)cc1
InChIInChI=1S/C18H26N4O/c1-3-21(4-2)17-7-5-16(6-8-17)14-20-18(23)22-11-9-15(13-19)10-12-22/h5-8,15H,3-4,9-12,14H2,1-2H3,(H,20,23)
InChIKeySOUVBCUHGZHLDQ-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.98
Rot. Bonds5

About 4-cyano-N-[[4-(diethylamino)phenyl]methyl]piperidine-1-carboxamide

4-cyano-N-[[4-(diethylamino)phenyl]methyl]piperidine-1-carboxamide (PubChem CID 48957963) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 4-cyano-N-[[4-(diethylamino)phenyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[[4-(diethylamino)phenyl]methyl]piperidine-1-carboxamide
PubChem CID48957963
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name4-cyano-N-[[4-(diethylamino)phenyl]methyl]piperidine-1-carboxamide
SMILESCCN(CC)c1ccc(CNC(=O)N2CCC(C#N)CC2)cc1
InChIInChI=1S/C18H26N4O/c1-3-21(4-2)17-7-5-16(6-8-17)14-20-18(23)22-11-9-15(13-19)10-12-22/h5-8,15H,3-4,9-12,14H2,1-2H3,(H,20,23)
InChIKeySOUVBCUHGZHLDQ-UHFFFAOYSA-N
XLogP2.98
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[[4-(diethylamino)phenyl]methyl]piperidine-1-carboxamide?
The IUPAC name of 4-cyano-N-[[4-(diethylamino)phenyl]methyl]piperidine-1-carboxamide (CID 48957963) is 4-cyano-N-[[4-(diethylamino)phenyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-cyano-N-[[4-(diethylamino)phenyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-cyano-N-[[4-(diethylamino)phenyl]methyl]piperidine-1-carboxamide is CCN(CC)c1ccc(CNC(=O)N2CCC(C#N)CC2)cc1.
What is the InChIKey of 4-cyano-N-[[4-(diethylamino)phenyl]methyl]piperidine-1-carboxamide?
The InChIKey is SOUVBCUHGZHLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-3-21(4-2)17-7-5-16(6-8-17)14-20-18(23)22-11-9-15(13-19)10-12-22/h5-8,15H,3-4,9-12,14H2,1-2H3,(H,20,23).
What are the key properties of 4-cyano-N-[[4-(diethylamino)phenyl]methyl]piperidine-1-carboxamide?
4-cyano-N-[[4-(diethylamino)phenyl]methyl]piperidine-1-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[[4-(diethylamino)phenyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 48957963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).