N-cyclohexyl-2-(4-formyl-1-phenylpiperidin-4-yl)-N-phenylacetamide

C26H32N2O2 — CID 170591666

IUPACN-cyclohexyl-2-(4-formyl-1-phenylpiperidin-4-yl)-N-phenylacetamide
SMILESO=CC1(CC(=O)N(c2ccccc2)C2CCCCC2)CCN(c2ccccc2)CC1
InChIInChI=1S/C26H32N2O2/c29-21-26(16-18-27(19-17-26)22-10-4-1-5-11-22)20-25(30)28(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-2,4-7,10-13,21,24H,3,8-9,14-20H2
InChIKeyRUEVXIKXUMEKNE-UHFFFAOYSA-N
MW404.55 g/mol
LogP5.23
Rot. Bonds6

About N-cyclohexyl-2-(4-formyl-1-phenylpiperidin-4-yl)-N-phenylacetamide

N-cyclohexyl-2-(4-formyl-1-phenylpiperidin-4-yl)-N-phenylacetamide (PubChem CID 170591666) has the molecular formula C26H32N2O2 and a molecular weight of 404.55 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-formyl-1-phenylpiperidin-4-yl)-N-phenylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-formyl-1-phenylpiperidin-4-yl)-N-phenylacetamide
PubChem CID170591666
Molecular FormulaC26H32N2O2
Molecular Weight404.55 g/mol
Exact Mass404.25
IUPAC NameN-cyclohexyl-2-(4-formyl-1-phenylpiperidin-4-yl)-N-phenylacetamide
SMILESO=CC1(CC(=O)N(c2ccccc2)C2CCCCC2)CCN(c2ccccc2)CC1
InChIInChI=1S/C26H32N2O2/c29-21-26(16-18-27(19-17-26)22-10-4-1-5-11-22)20-25(30)28(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-2,4-7,10-13,21,24H,3,8-9,14-20H2
InChIKeyRUEVXIKXUMEKNE-UHFFFAOYSA-N
XLogP5.23
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.55
LogP ≤ 55.23
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 N-cyclohexyl-2-(4-formyl-1-phenylpiperidin-4-yl)-N-phenylacetamide?
The IUPAC name of N-cyclohexyl-2-(4-formyl-1-phenylpiperidin-4-yl)-N-phenylacetamide (CID 170591666) is N-cyclohexyl-2-(4-formyl-1-phenylpiperidin-4-yl)-N-phenylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(4-formyl-1-phenylpiperidin-4-yl)-N-phenylacetamide?
The canonical SMILES for N-cyclohexyl-2-(4-formyl-1-phenylpiperidin-4-yl)-N-phenylacetamide is O=CC1(CC(=O)N(c2ccccc2)C2CCCCC2)CCN(c2ccccc2)CC1.
What is the InChIKey of N-cyclohexyl-2-(4-formyl-1-phenylpiperidin-4-yl)-N-phenylacetamide?
The InChIKey is RUEVXIKXUMEKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O2/c29-21-26(16-18-27(19-17-26)22-10-4-1-5-11-22)20-25(30)28(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-2,4-7,10-13,21,24H,3,8-9,14-20H2.
What are the key properties of N-cyclohexyl-2-(4-formyl-1-phenylpiperidin-4-yl)-N-phenylacetamide?
N-cyclohexyl-2-(4-formyl-1-phenylpiperidin-4-yl)-N-phenylacetamide has a molecular weight of 404.55 g/mol, XLogP of 5.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-formyl-1-phenylpiperidin-4-yl)-N-phenylacetamide is sourced from PubChem (CID 170591666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).