N-ethyl-6-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide

C14H27N3O2 — CID 54985906

IUPACN-ethyl-6-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide
SMILESCCN(CC(=O)NC(C)C)C(=O)C1CCC(C)NC1
InChIInChI=1S/C14H27N3O2/c1-5-17(9-13(18)16-10(2)3)14(19)12-7-6-11(4)15-8-12/h10-12,15H,5-9H2,1-4H3,(H,16,18)
InChIKeyDWQDBRJAWAANFG-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.75
Rot. Bonds5

About N-ethyl-6-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide

N-ethyl-6-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide (PubChem CID 54985906) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-ethyl-6-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide
PubChem CID54985906
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-ethyl-6-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide
SMILESCCN(CC(=O)NC(C)C)C(=O)C1CCC(C)NC1
InChIInChI=1S/C14H27N3O2/c1-5-17(9-13(18)16-10(2)3)14(19)12-7-6-11(4)15-8-12/h10-12,15H,5-9H2,1-4H3,(H,16,18)
InChIKeyDWQDBRJAWAANFG-UHFFFAOYSA-N
XLogP0.75
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide?
The IUPAC name of N-ethyl-6-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide (CID 54985906) is N-ethyl-6-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide?
The canonical SMILES for N-ethyl-6-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide is CCN(CC(=O)NC(C)C)C(=O)C1CCC(C)NC1.
What is the InChIKey of N-ethyl-6-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide?
The InChIKey is DWQDBRJAWAANFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-5-17(9-13(18)16-10(2)3)14(19)12-7-6-11(4)15-8-12/h10-12,15H,5-9H2,1-4H3,(H,16,18).
What are the key properties of N-ethyl-6-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide?
N-ethyl-6-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 54985906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).