1-benzyl-N,N-diethylpiperidine-3-carboxamide

C17H26N2O — CID 2838082

IUPAC1-benzyl-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C17H26N2O/c1-3-19(4-2)17(20)16-11-8-12-18(14-16)13-15-9-6-5-7-10-15/h5-7,9-10,16H,3-4,8,11-14H2,1-2H3
InChIKeySGUNXEIHOGVXFK-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.77
Rot. Bonds5

About 1-benzyl-N,N-diethylpiperidine-3-carboxamide

1-benzyl-N,N-diethylpiperidine-3-carboxamide (PubChem CID 2838082) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-benzyl-N,N-diethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N,N-diethylpiperidine-3-carboxamide
PubChem CID2838082
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-benzyl-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C17H26N2O/c1-3-19(4-2)17(20)16-11-8-12-18(14-16)13-15-9-6-5-7-10-15/h5-7,9-10,16H,3-4,8,11-14H2,1-2H3
InChIKeySGUNXEIHOGVXFK-UHFFFAOYSA-N
XLogP2.77
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N,N-diethylpiperidine-3-carboxamide?
The IUPAC name of 1-benzyl-N,N-diethylpiperidine-3-carboxamide (CID 2838082) is 1-benzyl-N,N-diethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N,N-diethylpiperidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N,N-diethylpiperidine-3-carboxamide is CCN(CC)C(=O)C1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N,N-diethylpiperidine-3-carboxamide?
The InChIKey is SGUNXEIHOGVXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-19(4-2)17(20)16-11-8-12-18(14-16)13-15-9-6-5-7-10-15/h5-7,9-10,16H,3-4,8,11-14H2,1-2H3.
What are the key properties of 1-benzyl-N,N-diethylpiperidine-3-carboxamide?
1-benzyl-N,N-diethylpiperidine-3-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N,N-diethylpiperidine-3-carboxamide is sourced from PubChem (CID 2838082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).