N,N-diethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-3-carboxamide

C20H30N2O — CID 5310615

IUPACN,N-diethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(C/C(C)=C/c2ccccc2)C1
InChIInChI=1S/C20H30N2O/c1-4-22(5-2)20(23)19-12-9-13-21(16-19)15-17(3)14-18-10-7-6-8-11-18/h6-8,10-11,14,19H,4-5,9,12-13,15-16H2,1-3H3/b17-14+
InChIKeyVZLZWBUPBPQWIB-SAPNQHFASA-N
MW314.47 g/mol
LogP3.67
Rot. Bonds6

About N,N-diethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-3-carboxamide

N,N-diethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-3-carboxamide (PubChem CID 5310615) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is N,N-diethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-3-carboxamide
PubChem CID5310615
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC NameN,N-diethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(C/C(C)=C/c2ccccc2)C1
InChIInChI=1S/C20H30N2O/c1-4-22(5-2)20(23)19-12-9-13-21(16-19)15-17(3)14-18-10-7-6-8-11-18/h6-8,10-11,14,19H,4-5,9,12-13,15-16H2,1-3H3/b17-14+
InChIKeyVZLZWBUPBPQWIB-SAPNQHFASA-N
XLogP3.67
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-3-carboxamide?
The IUPAC name of N,N-diethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-3-carboxamide (CID 5310615) is N,N-diethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-3-carboxamide?
The canonical SMILES for N,N-diethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-3-carboxamide is CCN(CC)C(=O)C1CCCN(C/C(C)=C/c2ccccc2)C1.
What is the InChIKey of N,N-diethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-3-carboxamide?
The InChIKey is VZLZWBUPBPQWIB-SAPNQHFASA-N. The full InChI is InChI=1S/C20H30N2O/c1-4-22(5-2)20(23)19-12-9-13-21(16-19)15-17(3)14-18-10-7-6-8-11-18/h6-8,10-11,14,19H,4-5,9,12-13,15-16H2,1-3H3/b17-14+.
What are the key properties of N,N-diethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-3-carboxamide?
N,N-diethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-3-carboxamide has a molecular weight of 314.47 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-3-carboxamide is sourced from PubChem (CID 5310615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).