1-[4-[2-(2-phenylethyl)phenoxy]butyl]piperidine-3-carboxamide

C24H32N2O2 — CID 3055326

IUPAC1-[4-[2-(2-phenylethyl)phenoxy]butyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(CCCCOc2ccccc2CCc2ccccc2)C1
InChIInChI=1S/C24H32N2O2/c25-24(27)22-12-8-17-26(19-22)16-6-7-18-28-23-13-5-4-11-21(23)15-14-20-9-2-1-3-10-20/h1-5,9-11,13,22H,6-8,12,14-19H2,(H2,25,27)
InChIKeyCOWRQWLTZAMMKG-UHFFFAOYSA-N
MW380.53 g/mol
LogP3.83
Rot. Bonds10

About 1-[4-[2-(2-phenylethyl)phenoxy]butyl]piperidine-3-carboxamide

1-[4-[2-(2-phenylethyl)phenoxy]butyl]piperidine-3-carboxamide (PubChem CID 3055326) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 1-[4-[2-(2-phenylethyl)phenoxy]butyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[2-(2-phenylethyl)phenoxy]butyl]piperidine-3-carboxamide
PubChem CID3055326
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name1-[4-[2-(2-phenylethyl)phenoxy]butyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(CCCCOc2ccccc2CCc2ccccc2)C1
InChIInChI=1S/C24H32N2O2/c25-24(27)22-12-8-17-26(19-22)16-6-7-18-28-23-13-5-4-11-21(23)15-14-20-9-2-1-3-10-20/h1-5,9-11,13,22H,6-8,12,14-19H2,(H2,25,27)
InChIKeyCOWRQWLTZAMMKG-UHFFFAOYSA-N
XLogP3.83
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 53.83
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 1-[4-[2-(2-phenylethyl)phenoxy]butyl]piperidine-3-carboxamide?
The IUPAC name of 1-[4-[2-(2-phenylethyl)phenoxy]butyl]piperidine-3-carboxamide (CID 3055326) is 1-[4-[2-(2-phenylethyl)phenoxy]butyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[4-[2-(2-phenylethyl)phenoxy]butyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[4-[2-(2-phenylethyl)phenoxy]butyl]piperidine-3-carboxamide is NC(=O)C1CCCN(CCCCOc2ccccc2CCc2ccccc2)C1.
What is the InChIKey of 1-[4-[2-(2-phenylethyl)phenoxy]butyl]piperidine-3-carboxamide?
The InChIKey is COWRQWLTZAMMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c25-24(27)22-12-8-17-26(19-22)16-6-7-18-28-23-13-5-4-11-21(23)15-14-20-9-2-1-3-10-20/h1-5,9-11,13,22H,6-8,12,14-19H2,(H2,25,27).
What are the key properties of 1-[4-[2-(2-phenylethyl)phenoxy]butyl]piperidine-3-carboxamide?
1-[4-[2-(2-phenylethyl)phenoxy]butyl]piperidine-3-carboxamide has a molecular weight of 380.53 g/mol, XLogP of 3.83, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-phenylethyl)phenoxy]butyl]piperidine-3-carboxamide is sourced from PubChem (CID 3055326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).