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

C19H28N2O — CID 5310857

IUPACN,N-diethyl-1-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(C/C=C/c2ccccc2)C1
InChIInChI=1S/C19H28N2O/c1-3-21(4-2)19(22)18-13-9-15-20(16-18)14-8-12-17-10-6-5-7-11-17/h5-8,10-12,18H,3-4,9,13-16H2,1-2H3/b12-8+
InChIKeyCCQWOIXWKAQARO-XYOKQWHBSA-N
MW300.45 g/mol
LogP3.28
Rot. Bonds6

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

N,N-diethyl-1-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide (PubChem CID 5310857) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is N,N-diethyl-1-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide
PubChem CID5310857
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC NameN,N-diethyl-1-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(C/C=C/c2ccccc2)C1
InChIInChI=1S/C19H28N2O/c1-3-21(4-2)19(22)18-13-9-15-20(16-18)14-8-12-17-10-6-5-7-11-17/h5-8,10-12,18H,3-4,9,13-16H2,1-2H3/b12-8+
InChIKeyCCQWOIXWKAQARO-XYOKQWHBSA-N
XLogP3.28
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide?
The IUPAC name of N,N-diethyl-1-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide (CID 5310857) is N,N-diethyl-1-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide?
The canonical SMILES for N,N-diethyl-1-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide is CCN(CC)C(=O)C1CCCN(C/C=C/c2ccccc2)C1.
What is the InChIKey of N,N-diethyl-1-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide?
The InChIKey is CCQWOIXWKAQARO-XYOKQWHBSA-N. The full InChI is InChI=1S/C19H28N2O/c1-3-21(4-2)19(22)18-13-9-15-20(16-18)14-8-12-17-10-6-5-7-11-17/h5-8,10-12,18H,3-4,9,13-16H2,1-2H3/b12-8+.
What are the key properties of N,N-diethyl-1-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide?
N,N-diethyl-1-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide has a molecular weight of 300.45 g/mol, XLogP of 3.28, 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)-3-phenylprop-2-enyl]piperidine-3-carboxamide is sourced from PubChem (CID 5310857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).