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

C24H31ClN2O2 — CID 20544942

IUPAC1-[4-[2-[2-(4-chlorophenyl)ethyl]phenoxy]butyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCCCOc2ccccc2CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H31ClN2O2/c25-22-11-8-19(9-12-22)7-10-20-5-1-2-6-23(20)29-18-4-3-15-27-16-13-21(14-17-27)24(26)28/h1-2,5-6,8-9,11-12,21H,3-4,7,10,13-18H2,(H2,26,28)
InChIKeyFUEPWYLHOVYBBQ-UHFFFAOYSA-N
MW414.98 g/mol
LogP4.48
Rot. Bonds10

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

1-[4-[2-[2-(4-chlorophenyl)ethyl]phenoxy]butyl]piperidine-4-carboxamide (PubChem CID 20544942) has the molecular formula C24H31ClN2O2 and a molecular weight of 414.98 g/mol. Its IUPAC name is 1-[4-[2-[2-(4-chlorophenyl)ethyl]phenoxy]butyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-[2-[2-(4-chlorophenyl)ethyl]phenoxy]butyl]piperidine-4-carboxamide
PubChem CID20544942
Molecular FormulaC24H31ClN2O2
Molecular Weight414.98 g/mol
Exact Mass414.21
IUPAC Name1-[4-[2-[2-(4-chlorophenyl)ethyl]phenoxy]butyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCCCOc2ccccc2CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H31ClN2O2/c25-22-11-8-19(9-12-22)7-10-20-5-1-2-6-23(20)29-18-4-3-15-27-16-13-21(14-17-27)24(26)28/h1-2,5-6,8-9,11-12,21H,3-4,7,10,13-18H2,(H2,26,28)
InChIKeyFUEPWYLHOVYBBQ-UHFFFAOYSA-N
XLogP4.48
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.98
LogP ≤ 54.48
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-phenylethyl)phenoxy]butyl]piperidine-4-carboxamide
CID 3055325
1-[4-[2-[2-(4-fluorophenyl)ethyl]phenoxy]butyl]piperidine-4-carboxylic acid
CID 12852626
1-[4-[2-[2-(2,4-dichlorophenyl)ethyl]phenoxy]butyl]piperidine-4-carboxylic acid
CID 20544929
(3R)-1-[2-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 118058321
1-(6-phenylmethoxyhexyl)piperidine-4-carboxamide
CID 139907384
1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 45109747
1-[2-(2-cyanophenoxy)ethyl]piperidine-4-carboxamide
CID 43288683
1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 3889228
2-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]acetic acid
CID 11108172
1-[3-(2-ethylphenoxy)propyl]piperidin-4-ol
CID 39363366
1-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 9442958
2-(4-carbamoylpiperidin-1-yl)ethyl 2-(3,5-dichlorophenyl)acetate
CID 148887556

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[2-(4-chlorophenyl)ethyl]phenoxy]butyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-[2-[2-(4-chlorophenyl)ethyl]phenoxy]butyl]piperidine-4-carboxamide (CID 20544942) is 1-[4-[2-[2-(4-chlorophenyl)ethyl]phenoxy]butyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-[2-[2-(4-chlorophenyl)ethyl]phenoxy]butyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-[2-[2-(4-chlorophenyl)ethyl]phenoxy]butyl]piperidine-4-carboxamide is NC(=O)C1CCN(CCCCOc2ccccc2CCc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[4-[2-[2-(4-chlorophenyl)ethyl]phenoxy]butyl]piperidine-4-carboxamide?
The InChIKey is FUEPWYLHOVYBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN2O2/c25-22-11-8-19(9-12-22)7-10-20-5-1-2-6-23(20)29-18-4-3-15-27-16-13-21(14-17-27)24(26)28/h1-2,5-6,8-9,11-12,21H,3-4,7,10,13-18H2,(H2,26,28).
What are the key properties of 1-[4-[2-[2-(4-chlorophenyl)ethyl]phenoxy]butyl]piperidine-4-carboxamide?
1-[4-[2-[2-(4-chlorophenyl)ethyl]phenoxy]butyl]piperidine-4-carboxamide has a molecular weight of 414.98 g/mol, XLogP of 4.48, 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-(4-chlorophenyl)ethyl]phenoxy]butyl]piperidine-4-carboxamide is sourced from PubChem (CID 20544942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).