4-[4-(4-ethylpiperidin-1-yl)phenyl]-N-formylpentanamide

C19H28N2O2 — CID 166947852

IUPAC4-[4-(4-ethylpiperidin-1-yl)phenyl]-N-formylpentanamide
SMILESCCC1CCN(c2ccc(C(C)CCC(=O)NC=O)cc2)CC1
InChIInChI=1S/C19H28N2O2/c1-3-16-10-12-21(13-11-16)18-7-5-17(6-8-18)15(2)4-9-19(23)20-14-22/h5-8,14-16H,3-4,9-13H2,1-2H3,(H,20,22,23)
InChIKeyRPIYOXTZKHSEBN-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.47
Rot. Bonds7

About 4-[4-(4-ethylpiperidin-1-yl)phenyl]-N-formylpentanamide

4-[4-(4-ethylpiperidin-1-yl)phenyl]-N-formylpentanamide (PubChem CID 166947852) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 4-[4-(4-ethylpiperidin-1-yl)phenyl]-N-formylpentanamide.

Molecular Properties

Compound Name4-[4-(4-ethylpiperidin-1-yl)phenyl]-N-formylpentanamide
PubChem CID166947852
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Name4-[4-(4-ethylpiperidin-1-yl)phenyl]-N-formylpentanamide
SMILESCCC1CCN(c2ccc(C(C)CCC(=O)NC=O)cc2)CC1
InChIInChI=1S/C19H28N2O2/c1-3-16-10-12-21(13-11-16)18-7-5-17(6-8-18)15(2)4-9-19(23)20-14-22/h5-8,14-16H,3-4,9-13H2,1-2H3,(H,20,22,23)
InChIKeyRPIYOXTZKHSEBN-UHFFFAOYSA-N
XLogP3.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-N-formylpentanamide
CID 172586968
1-(4-pentan-2-ylphenyl)piperidin-4-ol
CID 166926420
4-[4-(4-acetylpiperidin-1-yl)phenyl]-1-(4-propan-2-ylphenyl)pentan-1-one
CID 138492366
2-[1-[4-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide
CID 54989376
1-[4-(4-ethylpiperidin-1-yl)phenyl]-2,2-dimethylpropan-1-one
CID 58256894
4-ethyl-1-(4-ethylphenyl)piperidine
CID 70847074
1-[4-(4-ethylpiperidin-1-yl)phenyl]propan-2-amine
CID 63817435
ethane;4-ethyl-1-(4-ethylphenyl)piperidine
CID 142390325
4-(dimethylamino)-N-formylpentanamide;4-piperazin-1-ylphthalaldehyde
CID 163267553
3-(4-aminophenyl)-1-(4-ethylpiperidin-1-yl)butan-1-one
CID 104502322
N-[[4-(4-ethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 61422129
butyl 4-(4-ethylpiperidin-1-yl)benzoate
CID 156711589

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-ethylpiperidin-1-yl)phenyl]-N-formylpentanamide?
The IUPAC name of 4-[4-(4-ethylpiperidin-1-yl)phenyl]-N-formylpentanamide (CID 166947852) is 4-[4-(4-ethylpiperidin-1-yl)phenyl]-N-formylpentanamide.
What is the SMILES notation for 4-[4-(4-ethylpiperidin-1-yl)phenyl]-N-formylpentanamide?
The canonical SMILES for 4-[4-(4-ethylpiperidin-1-yl)phenyl]-N-formylpentanamide is CCC1CCN(c2ccc(C(C)CCC(=O)NC=O)cc2)CC1.
What is the InChIKey of 4-[4-(4-ethylpiperidin-1-yl)phenyl]-N-formylpentanamide?
The InChIKey is RPIYOXTZKHSEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-3-16-10-12-21(13-11-16)18-7-5-17(6-8-18)15(2)4-9-19(23)20-14-22/h5-8,14-16H,3-4,9-13H2,1-2H3,(H,20,22,23).
What are the key properties of 4-[4-(4-ethylpiperidin-1-yl)phenyl]-N-formylpentanamide?
4-[4-(4-ethylpiperidin-1-yl)phenyl]-N-formylpentanamide has a molecular weight of 316.45 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-ethylpiperidin-1-yl)phenyl]-N-formylpentanamide is sourced from PubChem (CID 166947852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).