(2S)-1-ethyl-N-[2-(methylamino)ethoxy]-6-oxopiperidine-2-carboxamide

C11H21N3O3 — CID 146366554

IUPAC(2S)-1-ethyl-N-[2-(methylamino)ethoxy]-6-oxopiperidine-2-carboxamide
SMILESCCN1C(=O)CCC[C@H]1C(=O)NOCCNC
InChIInChI=1S/C11H21N3O3/c1-3-14-9(5-4-6-10(14)15)11(16)13-17-8-7-12-2/h9,12H,3-8H2,1-2H3,(H,13,16)/t9-/m0/s1
InChIKeyNAJLLHONGPWWKK-VIFPVBQESA-N
MW243.31 g/mol
LogP-0.35
Rot. Bonds6

About (2S)-1-ethyl-N-[2-(methylamino)ethoxy]-6-oxopiperidine-2-carboxamide

(2S)-1-ethyl-N-[2-(methylamino)ethoxy]-6-oxopiperidine-2-carboxamide (PubChem CID 146366554) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is (2S)-1-ethyl-N-[2-(methylamino)ethoxy]-6-oxopiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-ethyl-N-[2-(methylamino)ethoxy]-6-oxopiperidine-2-carboxamide
PubChem CID146366554
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name(2S)-1-ethyl-N-[2-(methylamino)ethoxy]-6-oxopiperidine-2-carboxamide
SMILESCCN1C(=O)CCC[C@H]1C(=O)NOCCNC
InChIInChI=1S/C11H21N3O3/c1-3-14-9(5-4-6-10(14)15)11(16)13-17-8-7-12-2/h9,12H,3-8H2,1-2H3,(H,13,16)/t9-/m0/s1
InChIKeyNAJLLHONGPWWKK-VIFPVBQESA-N
XLogP-0.35
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-ethyl-N-[2-(methylamino)ethoxy]-6-oxopiperidine-2-carboxamide?
The IUPAC name of (2S)-1-ethyl-N-[2-(methylamino)ethoxy]-6-oxopiperidine-2-carboxamide (CID 146366554) is (2S)-1-ethyl-N-[2-(methylamino)ethoxy]-6-oxopiperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-ethyl-N-[2-(methylamino)ethoxy]-6-oxopiperidine-2-carboxamide?
The canonical SMILES for (2S)-1-ethyl-N-[2-(methylamino)ethoxy]-6-oxopiperidine-2-carboxamide is CCN1C(=O)CCC[C@H]1C(=O)NOCCNC.
What is the InChIKey of (2S)-1-ethyl-N-[2-(methylamino)ethoxy]-6-oxopiperidine-2-carboxamide?
The InChIKey is NAJLLHONGPWWKK-VIFPVBQESA-N. The full InChI is InChI=1S/C11H21N3O3/c1-3-14-9(5-4-6-10(14)15)11(16)13-17-8-7-12-2/h9,12H,3-8H2,1-2H3,(H,13,16)/t9-/m0/s1.
What are the key properties of (2S)-1-ethyl-N-[2-(methylamino)ethoxy]-6-oxopiperidine-2-carboxamide?
(2S)-1-ethyl-N-[2-(methylamino)ethoxy]-6-oxopiperidine-2-carboxamide has a molecular weight of 243.31 g/mol, XLogP of -0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-ethyl-N-[2-(methylamino)ethoxy]-6-oxopiperidine-2-carboxamide is sourced from PubChem (CID 146366554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).