N-[3-(2-phenoxyethoxymethyl)phenyl]-3-piperidin-4-ylbutanamide

C24H32N2O3 — CID 119723062

IUPACN-[3-(2-phenoxyethoxymethyl)phenyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)Nc1cccc(COCCOc2ccccc2)c1)C1CCNCC1
InChIInChI=1S/C24H32N2O3/c1-19(21-10-12-25-13-11-21)16-24(27)26-22-7-5-6-20(17-22)18-28-14-15-29-23-8-3-2-4-9-23/h2-9,17,19,21,25H,10-16,18H2,1H3,(H,26,27)
InChIKeyNMFAPXAKMAIRJL-UHFFFAOYSA-N
MW396.53 g/mol
LogP4.25
Rot. Bonds10

About N-[3-(2-phenoxyethoxymethyl)phenyl]-3-piperidin-4-ylbutanamide

N-[3-(2-phenoxyethoxymethyl)phenyl]-3-piperidin-4-ylbutanamide (PubChem CID 119723062) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is N-[3-(2-phenoxyethoxymethyl)phenyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[3-(2-phenoxyethoxymethyl)phenyl]-3-piperidin-4-ylbutanamide
PubChem CID119723062
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC NameN-[3-(2-phenoxyethoxymethyl)phenyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)Nc1cccc(COCCOc2ccccc2)c1)C1CCNCC1
InChIInChI=1S/C24H32N2O3/c1-19(21-10-12-25-13-11-21)16-24(27)26-22-7-5-6-20(17-22)18-28-14-15-29-23-8-3-2-4-9-23/h2-9,17,19,21,25H,10-16,18H2,1H3,(H,26,27)
InChIKeyNMFAPXAKMAIRJL-UHFFFAOYSA-N
XLogP4.25
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-piperidin-4-yl-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide
CID 119846178
N-[3-(phenylcarbamoylamino)phenyl]-3-piperidin-4-ylbutanamide
CID 119700701
N-[3-(2-ethoxyethoxymethyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119722905
N-(3-acetamidophenyl)-3-piperidin-4-ylbutanamide
CID 119671646
N-[3-(2-phenoxyethoxymethyl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119723072
N-(2-phenoxyethyl)-3-piperidin-4-ylbutanamide
CID 119684535
N-(3-cyclopentyloxyphenyl)-3-piperidin-4-ylbutanamide
CID 119714969
N-(2-phenylmethoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119770174
N-(3-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119671037
N-[2-(3-acetamidophenoxy)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119776231
3-piperidin-4-yl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]butanamide
CID 119869797
2-amino-2-(oxan-4-yl)-N-[3-(2-phenoxyethoxymethyl)phenyl]acetamide;hydrochloride
CID 120787393

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-phenoxyethoxymethyl)phenyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[3-(2-phenoxyethoxymethyl)phenyl]-3-piperidin-4-ylbutanamide (CID 119723062) is N-[3-(2-phenoxyethoxymethyl)phenyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[3-(2-phenoxyethoxymethyl)phenyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[3-(2-phenoxyethoxymethyl)phenyl]-3-piperidin-4-ylbutanamide is CC(CC(=O)Nc1cccc(COCCOc2ccccc2)c1)C1CCNCC1.
What is the InChIKey of N-[3-(2-phenoxyethoxymethyl)phenyl]-3-piperidin-4-ylbutanamide?
The InChIKey is NMFAPXAKMAIRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-19(21-10-12-25-13-11-21)16-24(27)26-22-7-5-6-20(17-22)18-28-14-15-29-23-8-3-2-4-9-23/h2-9,17,19,21,25H,10-16,18H2,1H3,(H,26,27).
What are the key properties of N-[3-(2-phenoxyethoxymethyl)phenyl]-3-piperidin-4-ylbutanamide?
N-[3-(2-phenoxyethoxymethyl)phenyl]-3-piperidin-4-ylbutanamide has a molecular weight of 396.53 g/mol, XLogP of 4.25, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-phenoxyethoxymethyl)phenyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119723062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).