4-ethoxy-N-[1-(1-phenylethyl)piperidin-4-yl]butanamide

C19H30N2O2 — CID 56791472

IUPAC4-ethoxy-N-[1-(1-phenylethyl)piperidin-4-yl]butanamide
SMILESCCOCCCC(=O)NC1CCN(C(C)c2ccccc2)CC1
InChIInChI=1S/C19H30N2O2/c1-3-23-15-7-10-19(22)20-18-11-13-21(14-12-18)16(2)17-8-5-4-6-9-17/h4-6,8-9,16,18H,3,7,10-15H2,1-2H3,(H,20,22)
InChIKeyWWHZIDZZEVRKEK-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.14
Rot. Bonds8

About 4-ethoxy-N-[1-(1-phenylethyl)piperidin-4-yl]butanamide

4-ethoxy-N-[1-(1-phenylethyl)piperidin-4-yl]butanamide (PubChem CID 56791472) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 4-ethoxy-N-[1-(1-phenylethyl)piperidin-4-yl]butanamide.

Molecular Properties

Compound Name4-ethoxy-N-[1-(1-phenylethyl)piperidin-4-yl]butanamide
PubChem CID56791472
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name4-ethoxy-N-[1-(1-phenylethyl)piperidin-4-yl]butanamide
SMILESCCOCCCC(=O)NC1CCN(C(C)c2ccccc2)CC1
InChIInChI=1S/C19H30N2O2/c1-3-23-15-7-10-19(22)20-18-11-13-21(14-12-18)16(2)17-8-5-4-6-9-17/h4-6,8-9,16,18H,3,7,10-15H2,1-2H3,(H,20,22)
InChIKeyWWHZIDZZEVRKEK-UHFFFAOYSA-N
XLogP3.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[1-(1-phenylethyl)piperidin-4-yl]butanamide?
The IUPAC name of 4-ethoxy-N-[1-(1-phenylethyl)piperidin-4-yl]butanamide (CID 56791472) is 4-ethoxy-N-[1-(1-phenylethyl)piperidin-4-yl]butanamide.
What is the SMILES notation for 4-ethoxy-N-[1-(1-phenylethyl)piperidin-4-yl]butanamide?
The canonical SMILES for 4-ethoxy-N-[1-(1-phenylethyl)piperidin-4-yl]butanamide is CCOCCCC(=O)NC1CCN(C(C)c2ccccc2)CC1.
What is the InChIKey of 4-ethoxy-N-[1-(1-phenylethyl)piperidin-4-yl]butanamide?
The InChIKey is WWHZIDZZEVRKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-3-23-15-7-10-19(22)20-18-11-13-21(14-12-18)16(2)17-8-5-4-6-9-17/h4-6,8-9,16,18H,3,7,10-15H2,1-2H3,(H,20,22).
What are the key properties of 4-ethoxy-N-[1-(1-phenylethyl)piperidin-4-yl]butanamide?
4-ethoxy-N-[1-(1-phenylethyl)piperidin-4-yl]butanamide has a molecular weight of 318.46 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[1-(1-phenylethyl)piperidin-4-yl]butanamide is sourced from PubChem (CID 56791472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).