4-butoxy-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide

C25H34N2O2 — CID 43843308

IUPAC4-butoxy-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(c2ccc(C)cc2)N2CCCCC2)cc1
InChIInChI=1S/C25H34N2O2/c1-3-4-18-29-23-14-12-22(13-15-23)25(28)26-19-24(27-16-6-5-7-17-27)21-10-8-20(2)9-11-21/h8-15,24H,3-7,16-19H2,1-2H3,(H,26,28)
InChIKeySZWUHCFOWSUHSM-UHFFFAOYSA-N
MW394.56 g/mol
LogP5.13
Rot. Bonds9

About 4-butoxy-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide

4-butoxy-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide (PubChem CID 43843308) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 4-butoxy-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
PubChem CID43843308
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC Name4-butoxy-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(c2ccc(C)cc2)N2CCCCC2)cc1
InChIInChI=1S/C25H34N2O2/c1-3-4-18-29-23-14-12-22(13-15-23)25(28)26-19-24(27-16-6-5-7-17-27)21-10-8-20(2)9-11-21/h8-15,24H,3-7,16-19H2,1-2H3,(H,26,28)
InChIKeySZWUHCFOWSUHSM-UHFFFAOYSA-N
XLogP5.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 55.13
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

N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 112503883
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide
CID 34954942
N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-3-propoxybenzamide
CID 17012220
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-3-propoxybenzamide
CID 43842968
4-butoxy-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 35340992
N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 40782504
4-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951585
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-3-propoxybenzamide;hydrochloride
CID 52985153
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35180369
N-[(2S)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethyl]-4-ethoxybenzamide
CID 35574265
4-butoxy-3-methoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 55328426
N-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-3-ethoxybenzamide
CID 34954508

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide?
The IUPAC name of 4-butoxy-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide (CID 43843308) is 4-butoxy-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide?
The canonical SMILES for 4-butoxy-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide is CCCCOc1ccc(C(=O)NCC(c2ccc(C)cc2)N2CCCCC2)cc1.
What is the InChIKey of 4-butoxy-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide?
The InChIKey is SZWUHCFOWSUHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-3-4-18-29-23-14-12-22(13-15-23)25(28)26-19-24(27-16-6-5-7-17-27)21-10-8-20(2)9-11-21/h8-15,24H,3-7,16-19H2,1-2H3,(H,26,28).
What are the key properties of 4-butoxy-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide?
4-butoxy-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide has a molecular weight of 394.56 g/mol, XLogP of 5.13, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide is sourced from PubChem (CID 43843308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).