(2S,3R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)-6-oxopiperidine-3-carboxamide

C16H26N2O3 — CID 91911598

IUPAC(2S,3R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)-6-oxopiperidine-3-carboxamide
SMILESCOC[C@H]1NC(=O)CC[C@H]1C(=O)NCCC1=CCCCC1
InChIInChI=1S/C16H26N2O3/c1-21-11-14-13(7-8-15(19)18-14)16(20)17-10-9-12-5-3-2-4-6-12/h5,13-14H,2-4,6-11H2,1H3,(H,17,20)(H,18,19)/t13-,14-/m1/s1
InChIKeyFYRQQXMSARIFPL-ZIAGYGMSSA-N
MW294.39 g/mol
LogP1.53
Rot. Bonds6

About (2S,3R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)-6-oxopiperidine-3-carboxamide

(2S,3R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)-6-oxopiperidine-3-carboxamide (PubChem CID 91911598) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is (2S,3R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)-6-oxopiperidine-3-carboxamide
PubChem CID91911598
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name(2S,3R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)-6-oxopiperidine-3-carboxamide
SMILESCOC[C@H]1NC(=O)CC[C@H]1C(=O)NCCC1=CCCCC1
InChIInChI=1S/C16H26N2O3/c1-21-11-14-13(7-8-15(19)18-14)16(20)17-10-9-12-5-3-2-4-6-12/h5,13-14H,2-4,6-11H2,1H3,(H,17,20)(H,18,19)/t13-,14-/m1/s1
InChIKeyFYRQQXMSARIFPL-ZIAGYGMSSA-N
XLogP1.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (2S,3R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)-6-oxopiperidine-3-carboxamide (CID 91911598) is (2S,3R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (2S,3R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (2S,3R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)-6-oxopiperidine-3-carboxamide is COC[C@H]1NC(=O)CC[C@H]1C(=O)NCCC1=CCCCC1.
What is the InChIKey of (2S,3R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is FYRQQXMSARIFPL-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-21-11-14-13(7-8-15(19)18-14)16(20)17-10-9-12-5-3-2-4-6-12/h5,13-14H,2-4,6-11H2,1H3,(H,17,20)(H,18,19)/t13-,14-/m1/s1.
What are the key properties of (2S,3R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)-6-oxopiperidine-3-carboxamide?
(2S,3R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 294.39 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 91911598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).