5-[4-[hydroxy-bis(4-methylphenyl)methyl]piperidin-1-yl]-N,N-dimethylpentanamide

C27H38N2O2 — CID 19992273

IUPAC5-[4-[hydroxy-bis(4-methylphenyl)methyl]piperidin-1-yl]-N,N-dimethylpentanamide
SMILESCc1ccc(C(O)(c2ccc(C)cc2)C2CCN(CCCCC(=O)N(C)C)CC2)cc1
InChIInChI=1S/C27H38N2O2/c1-21-8-12-23(13-9-21)27(31,24-14-10-22(2)11-15-24)25-16-19-29(20-17-25)18-6-5-7-26(30)28(3)4/h8-15,25,31H,5-7,16-20H2,1-4H3
InChIKeyRXJCSQCRAANGAK-UHFFFAOYSA-N
MW422.61 g/mol
LogP4.51
Rot. Bonds8

About 5-[4-[hydroxy-bis(4-methylphenyl)methyl]piperidin-1-yl]-N,N-dimethylpentanamide

5-[4-[hydroxy-bis(4-methylphenyl)methyl]piperidin-1-yl]-N,N-dimethylpentanamide (PubChem CID 19992273) has the molecular formula C27H38N2O2 and a molecular weight of 422.61 g/mol. Its IUPAC name is 5-[4-[hydroxy-bis(4-methylphenyl)methyl]piperidin-1-yl]-N,N-dimethylpentanamide.

Molecular Properties

Compound Name5-[4-[hydroxy-bis(4-methylphenyl)methyl]piperidin-1-yl]-N,N-dimethylpentanamide
PubChem CID19992273
Molecular FormulaC27H38N2O2
Molecular Weight422.61 g/mol
Exact Mass422.29
IUPAC Name5-[4-[hydroxy-bis(4-methylphenyl)methyl]piperidin-1-yl]-N,N-dimethylpentanamide
SMILESCc1ccc(C(O)(c2ccc(C)cc2)C2CCN(CCCCC(=O)N(C)C)CC2)cc1
InChIInChI=1S/C27H38N2O2/c1-21-8-12-23(13-9-21)27(31,24-14-10-22(2)11-15-24)25-16-19-29(20-17-25)18-6-5-7-26(30)28(3)4/h8-15,25,31H,5-7,16-20H2,1-4H3
InChIKeyRXJCSQCRAANGAK-UHFFFAOYSA-N
XLogP4.51
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.61
LogP ≤ 54.51
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 5-[4-[hydroxy-bis(4-methylphenyl)methyl]piperidin-1-yl]-N,N-dimethylpentanamide?
The IUPAC name of 5-[4-[hydroxy-bis(4-methylphenyl)methyl]piperidin-1-yl]-N,N-dimethylpentanamide (CID 19992273) is 5-[4-[hydroxy-bis(4-methylphenyl)methyl]piperidin-1-yl]-N,N-dimethylpentanamide.
What is the SMILES notation for 5-[4-[hydroxy-bis(4-methylphenyl)methyl]piperidin-1-yl]-N,N-dimethylpentanamide?
The canonical SMILES for 5-[4-[hydroxy-bis(4-methylphenyl)methyl]piperidin-1-yl]-N,N-dimethylpentanamide is Cc1ccc(C(O)(c2ccc(C)cc2)C2CCN(CCCCC(=O)N(C)C)CC2)cc1.
What is the InChIKey of 5-[4-[hydroxy-bis(4-methylphenyl)methyl]piperidin-1-yl]-N,N-dimethylpentanamide?
The InChIKey is RXJCSQCRAANGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2O2/c1-21-8-12-23(13-9-21)27(31,24-14-10-22(2)11-15-24)25-16-19-29(20-17-25)18-6-5-7-26(30)28(3)4/h8-15,25,31H,5-7,16-20H2,1-4H3.
What are the key properties of 5-[4-[hydroxy-bis(4-methylphenyl)methyl]piperidin-1-yl]-N,N-dimethylpentanamide?
5-[4-[hydroxy-bis(4-methylphenyl)methyl]piperidin-1-yl]-N,N-dimethylpentanamide has a molecular weight of 422.61 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[hydroxy-bis(4-methylphenyl)methyl]piperidin-1-yl]-N,N-dimethylpentanamide is sourced from PubChem (CID 19992273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).