2-[(4-phenylphenyl)methyl]-N-propan-2-ylpiperidine-2-carboxamide

C22H28N2O — CID 155984896

IUPAC2-[(4-phenylphenyl)methyl]-N-propan-2-ylpiperidine-2-carboxamide
SMILESCC(C)NC(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCCCN1
InChIInChI=1S/C22H28N2O/c1-17(2)24-21(25)22(14-6-7-15-23-22)16-18-10-12-20(13-11-18)19-8-4-3-5-9-19/h3-5,8-13,17,23H,6-7,14-16H2,1-2H3,(H,24,25)
InChIKeyRBHFKENIJJNNRZ-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.93
Rot. Bonds5

About 2-[(4-phenylphenyl)methyl]-N-propan-2-ylpiperidine-2-carboxamide

2-[(4-phenylphenyl)methyl]-N-propan-2-ylpiperidine-2-carboxamide (PubChem CID 155984896) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-[(4-phenylphenyl)methyl]-N-propan-2-ylpiperidine-2-carboxamide.

Molecular Properties

Compound Name2-[(4-phenylphenyl)methyl]-N-propan-2-ylpiperidine-2-carboxamide
PubChem CID155984896
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name2-[(4-phenylphenyl)methyl]-N-propan-2-ylpiperidine-2-carboxamide
SMILESCC(C)NC(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCCCN1
InChIInChI=1S/C22H28N2O/c1-17(2)24-21(25)22(14-6-7-15-23-22)16-18-10-12-20(13-11-18)19-8-4-3-5-9-19/h3-5,8-13,17,23H,6-7,14-16H2,1-2H3,(H,24,25)
InChIKeyRBHFKENIJJNNRZ-UHFFFAOYSA-N
XLogP3.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenylphenyl)methyl]-N-propan-2-ylpiperidine-2-carboxamide?
The IUPAC name of 2-[(4-phenylphenyl)methyl]-N-propan-2-ylpiperidine-2-carboxamide (CID 155984896) is 2-[(4-phenylphenyl)methyl]-N-propan-2-ylpiperidine-2-carboxamide.
What is the SMILES notation for 2-[(4-phenylphenyl)methyl]-N-propan-2-ylpiperidine-2-carboxamide?
The canonical SMILES for 2-[(4-phenylphenyl)methyl]-N-propan-2-ylpiperidine-2-carboxamide is CC(C)NC(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCCCN1.
What is the InChIKey of 2-[(4-phenylphenyl)methyl]-N-propan-2-ylpiperidine-2-carboxamide?
The InChIKey is RBHFKENIJJNNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-17(2)24-21(25)22(14-6-7-15-23-22)16-18-10-12-20(13-11-18)19-8-4-3-5-9-19/h3-5,8-13,17,23H,6-7,14-16H2,1-2H3,(H,24,25).
What are the key properties of 2-[(4-phenylphenyl)methyl]-N-propan-2-ylpiperidine-2-carboxamide?
2-[(4-phenylphenyl)methyl]-N-propan-2-ylpiperidine-2-carboxamide has a molecular weight of 336.48 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenylphenyl)methyl]-N-propan-2-ylpiperidine-2-carboxamide is sourced from PubChem (CID 155984896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).