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

C24H32N2O2 — CID 3055325

IUPAC1-[4-[2-(2-phenylethyl)phenoxy]butyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCCCOc2ccccc2CCc2ccccc2)CC1
InChIInChI=1S/C24H32N2O2/c25-24(27)22-14-17-26(18-15-22)16-6-7-19-28-23-11-5-4-10-21(23)13-12-20-8-2-1-3-9-20/h1-5,8-11,22H,6-7,12-19H2,(H2,25,27)
InChIKeyROWPAXNVXWTPHF-UHFFFAOYSA-N
MW380.53 g/mol
LogP3.83
Rot. Bonds10

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

1-[4-[2-(2-phenylethyl)phenoxy]butyl]piperidine-4-carboxamide (PubChem CID 3055325) 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-4-carboxamide.

Molecular Properties

Compound Name1-[4-[2-(2-phenylethyl)phenoxy]butyl]piperidine-4-carboxamide
PubChem CID3055325
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name1-[4-[2-(2-phenylethyl)phenoxy]butyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCCCOc2ccccc2CCc2ccccc2)CC1
InChIInChI=1S/C24H32N2O2/c25-24(27)22-14-17-26(18-15-22)16-6-7-19-28-23-11-5-4-10-21(23)13-12-20-8-2-1-3-9-20/h1-5,8-11,22H,6-7,12-19H2,(H2,25,27)
InChIKeyROWPAXNVXWTPHF-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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Related Compounds

1-[4-[2-[2-(4-chlorophenyl)ethyl]phenoxy]butyl]piperidine-4-carboxamide
CID 20544942
1-[4-[2-[2-(4-fluorophenyl)ethyl]phenoxy]butyl]piperidine-4-carboxylic acid
CID 12852626
1-(6-phenylmethoxyhexyl)piperidine-4-carboxamide
CID 139907384
1-[4-[2-[2-(2,4-dichlorophenyl)ethyl]phenoxy]butyl]piperidine-4-carboxylic acid
CID 20544929
2-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]acetic acid
CID 11108172
1-[2-(2-cyanophenoxy)ethyl]piperidine-4-carboxamide
CID 43288683
1-[4-[[N'-methyl-N-(3-phenylpropyl)carbamimidoyl]amino]butyl]piperidine-4-carboxamide;hydroiodide
CID 111200077
methyl 1-(4-phenylbutyl)piperidine-4-carboxylate
CID 114334475
2-[4-[4-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]butyl]piperazin-1-yl]ethanol
CID 20544975
1-[3-(2-ethylphenoxy)propyl]piperidin-4-ol
CID 39363366
N-methyl-3-[2-(4-piperidin-1-ylbutoxy)phenyl]propanamide
CID 20719073
1-[4-(3-phenylpropoxy)butyl]piperidin-4-amine
CID 141012569

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-phenylethyl)phenoxy]butyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-[2-(2-phenylethyl)phenoxy]butyl]piperidine-4-carboxamide (CID 3055325) is 1-[4-[2-(2-phenylethyl)phenoxy]butyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-[2-(2-phenylethyl)phenoxy]butyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-[2-(2-phenylethyl)phenoxy]butyl]piperidine-4-carboxamide is NC(=O)C1CCN(CCCCOc2ccccc2CCc2ccccc2)CC1.
What is the InChIKey of 1-[4-[2-(2-phenylethyl)phenoxy]butyl]piperidine-4-carboxamide?
The InChIKey is ROWPAXNVXWTPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c25-24(27)22-14-17-26(18-15-22)16-6-7-19-28-23-11-5-4-10-21(23)13-12-20-8-2-1-3-9-20/h1-5,8-11,22H,6-7,12-19H2,(H2,25,27).
What are the key properties of 1-[4-[2-(2-phenylethyl)phenoxy]butyl]piperidine-4-carboxamide?
1-[4-[2-(2-phenylethyl)phenoxy]butyl]piperidine-4-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-4-carboxamide is sourced from PubChem (CID 3055325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).