N-benzyl-N,1,4-trimethyl-2-oxopiperidine-4-carboxamide

C16H22N2O2 — CID 155460835

IUPACN-benzyl-N,1,4-trimethyl-2-oxopiperidine-4-carboxamide
SMILESCN1CCC(C)(C(=O)N(C)Cc2ccccc2)CC1=O
InChIInChI=1S/C16H22N2O2/c1-16(9-10-17(2)14(19)11-16)15(20)18(3)12-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3
InChIKeyHBFPBAFMGAFRLU-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.90
Rot. Bonds3

About N-benzyl-N,1,4-trimethyl-2-oxopiperidine-4-carboxamide

N-benzyl-N,1,4-trimethyl-2-oxopiperidine-4-carboxamide (PubChem CID 155460835) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-benzyl-N,1,4-trimethyl-2-oxopiperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N,1,4-trimethyl-2-oxopiperidine-4-carboxamide
PubChem CID155460835
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-benzyl-N,1,4-trimethyl-2-oxopiperidine-4-carboxamide
SMILESCN1CCC(C)(C(=O)N(C)Cc2ccccc2)CC1=O
InChIInChI=1S/C16H22N2O2/c1-16(9-10-17(2)14(19)11-16)15(20)18(3)12-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3
InChIKeyHBFPBAFMGAFRLU-UHFFFAOYSA-N
XLogP1.90
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,1,4-trimethyl-2-oxopiperidine-4-carboxamide?
The IUPAC name of N-benzyl-N,1,4-trimethyl-2-oxopiperidine-4-carboxamide (CID 155460835) is N-benzyl-N,1,4-trimethyl-2-oxopiperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-N,1,4-trimethyl-2-oxopiperidine-4-carboxamide?
The canonical SMILES for N-benzyl-N,1,4-trimethyl-2-oxopiperidine-4-carboxamide is CN1CCC(C)(C(=O)N(C)Cc2ccccc2)CC1=O.
What is the InChIKey of N-benzyl-N,1,4-trimethyl-2-oxopiperidine-4-carboxamide?
The InChIKey is HBFPBAFMGAFRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-16(9-10-17(2)14(19)11-16)15(20)18(3)12-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3.
What are the key properties of N-benzyl-N,1,4-trimethyl-2-oxopiperidine-4-carboxamide?
N-benzyl-N,1,4-trimethyl-2-oxopiperidine-4-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,1,4-trimethyl-2-oxopiperidine-4-carboxamide is sourced from PubChem (CID 155460835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).