(3S,5R)-1-cyclohexyl-5-(morpholine-4-carbonyl)piperidine-3-carbaldehyde

C17H28N2O3 — CID 170151091

IUPAC(3S,5R)-1-cyclohexyl-5-(morpholine-4-carbonyl)piperidine-3-carbaldehyde
SMILESO=C[C@H]1C[C@@H](C(=O)N2CCOCC2)CN(C2CCCCC2)C1
InChIInChI=1S/C17H28N2O3/c20-13-14-10-15(17(21)18-6-8-22-9-7-18)12-19(11-14)16-4-2-1-3-5-16/h13-16H,1-12H2/t14-,15+/m0/s1
InChIKeyKTFKGGPPNWFCAW-LSDHHAIUSA-N
MW308.42 g/mol
LogP1.31
Rot. Bonds3

About (3S,5R)-1-cyclohexyl-5-(morpholine-4-carbonyl)piperidine-3-carbaldehyde

(3S,5R)-1-cyclohexyl-5-(morpholine-4-carbonyl)piperidine-3-carbaldehyde (PubChem CID 170151091) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is (3S,5R)-1-cyclohexyl-5-(morpholine-4-carbonyl)piperidine-3-carbaldehyde.

Molecular Properties

Compound Name(3S,5R)-1-cyclohexyl-5-(morpholine-4-carbonyl)piperidine-3-carbaldehyde
PubChem CID170151091
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name(3S,5R)-1-cyclohexyl-5-(morpholine-4-carbonyl)piperidine-3-carbaldehyde
SMILESO=C[C@H]1C[C@@H](C(=O)N2CCOCC2)CN(C2CCCCC2)C1
InChIInChI=1S/C17H28N2O3/c20-13-14-10-15(17(21)18-6-8-22-9-7-18)12-19(11-14)16-4-2-1-3-5-16/h13-16H,1-12H2/t14-,15+/m0/s1
InChIKeyKTFKGGPPNWFCAW-LSDHHAIUSA-N
XLogP1.31
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-1-cyclohexyl-5-(morpholine-4-carbonyl)piperidine-3-carbaldehyde?
The IUPAC name of (3S,5R)-1-cyclohexyl-5-(morpholine-4-carbonyl)piperidine-3-carbaldehyde (CID 170151091) is (3S,5R)-1-cyclohexyl-5-(morpholine-4-carbonyl)piperidine-3-carbaldehyde.
What is the SMILES notation for (3S,5R)-1-cyclohexyl-5-(morpholine-4-carbonyl)piperidine-3-carbaldehyde?
The canonical SMILES for (3S,5R)-1-cyclohexyl-5-(morpholine-4-carbonyl)piperidine-3-carbaldehyde is O=C[C@H]1C[C@@H](C(=O)N2CCOCC2)CN(C2CCCCC2)C1.
What is the InChIKey of (3S,5R)-1-cyclohexyl-5-(morpholine-4-carbonyl)piperidine-3-carbaldehyde?
The InChIKey is KTFKGGPPNWFCAW-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H28N2O3/c20-13-14-10-15(17(21)18-6-8-22-9-7-18)12-19(11-14)16-4-2-1-3-5-16/h13-16H,1-12H2/t14-,15+/m0/s1.
What are the key properties of (3S,5R)-1-cyclohexyl-5-(morpholine-4-carbonyl)piperidine-3-carbaldehyde?
(3S,5R)-1-cyclohexyl-5-(morpholine-4-carbonyl)piperidine-3-carbaldehyde has a molecular weight of 308.42 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-1-cyclohexyl-5-(morpholine-4-carbonyl)piperidine-3-carbaldehyde is sourced from PubChem (CID 170151091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).