4-cyclohexyl-4-[(4-methyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidine-1-carbaldehyde

C17H28N2O3 — CID 142165929

IUPAC4-cyclohexyl-4-[(4-methyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidine-1-carbaldehyde
SMILESCC1COC(=O)N1CC1(C2CCCCC2)CCN(C=O)CC1
InChIInChI=1S/C17H28N2O3/c1-14-11-22-16(21)19(14)12-17(15-5-3-2-4-6-15)7-9-18(13-20)10-8-17/h13-15H,2-12H2,1H3
InChIKeyMVPAOBZGIAWXGE-UHFFFAOYSA-N
MW308.42 g/mol
LogP2.65
Rot. Bonds4

About 4-cyclohexyl-4-[(4-methyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidine-1-carbaldehyde

4-cyclohexyl-4-[(4-methyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidine-1-carbaldehyde (PubChem CID 142165929) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 4-cyclohexyl-4-[(4-methyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-cyclohexyl-4-[(4-methyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidine-1-carbaldehyde
PubChem CID142165929
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name4-cyclohexyl-4-[(4-methyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidine-1-carbaldehyde
SMILESCC1COC(=O)N1CC1(C2CCCCC2)CCN(C=O)CC1
InChIInChI=1S/C17H28N2O3/c1-14-11-22-16(21)19(14)12-17(15-5-3-2-4-6-15)7-9-18(13-20)10-8-17/h13-15H,2-12H2,1H3
InChIKeyMVPAOBZGIAWXGE-UHFFFAOYSA-N
XLogP2.65
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-4-[(4-methyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidine-1-carbaldehyde?
The IUPAC name of 4-cyclohexyl-4-[(4-methyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidine-1-carbaldehyde (CID 142165929) is 4-cyclohexyl-4-[(4-methyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidine-1-carbaldehyde.
What is the SMILES notation for 4-cyclohexyl-4-[(4-methyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidine-1-carbaldehyde?
The canonical SMILES for 4-cyclohexyl-4-[(4-methyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidine-1-carbaldehyde is CC1COC(=O)N1CC1(C2CCCCC2)CCN(C=O)CC1.
What is the InChIKey of 4-cyclohexyl-4-[(4-methyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidine-1-carbaldehyde?
The InChIKey is MVPAOBZGIAWXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-14-11-22-16(21)19(14)12-17(15-5-3-2-4-6-15)7-9-18(13-20)10-8-17/h13-15H,2-12H2,1H3.
What are the key properties of 4-cyclohexyl-4-[(4-methyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidine-1-carbaldehyde?
4-cyclohexyl-4-[(4-methyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidine-1-carbaldehyde has a molecular weight of 308.42 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-4-[(4-methyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidine-1-carbaldehyde is sourced from PubChem (CID 142165929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).