2-[(3-phenylphenyl)methyl]-N-propan-2-ylpiperidine-2-carboxamide

C22H28N2O — CID 175662616

IUPAC2-[(3-phenylphenyl)methyl]-N-propan-2-ylpiperidine-2-carboxamide
SMILESCC(C)NC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCCCN1
InChIInChI=1S/C22H28N2O/c1-17(2)24-21(25)22(13-6-7-14-23-22)16-18-9-8-12-20(15-18)19-10-4-3-5-11-19/h3-5,8-12,15,17,23H,6-7,13-14,16H2,1-2H3,(H,24,25)
InChIKeyVQEOVZXTGKZMAY-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.93
Rot. Bonds5

About 2-[(3-phenylphenyl)methyl]-N-propan-2-ylpiperidine-2-carboxamide

2-[(3-phenylphenyl)methyl]-N-propan-2-ylpiperidine-2-carboxamide (PubChem CID 175662616) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-[(3-phenylphenyl)methyl]-N-propan-2-ylpiperidine-2-carboxamide.

Molecular Properties

Compound Name2-[(3-phenylphenyl)methyl]-N-propan-2-ylpiperidine-2-carboxamide
PubChem CID175662616
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name2-[(3-phenylphenyl)methyl]-N-propan-2-ylpiperidine-2-carboxamide
SMILESCC(C)NC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCCCN1
InChIInChI=1S/C22H28N2O/c1-17(2)24-21(25)22(13-6-7-14-23-22)16-18-9-8-12-20(15-18)19-10-4-3-5-11-19/h3-5,8-12,15,17,23H,6-7,13-14,16H2,1-2H3,(H,24,25)
InChIKeyVQEOVZXTGKZMAY-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-[(3-phenylphenyl)methyl]-N-propan-2-ylpiperidine-2-carboxamide?
The IUPAC name of 2-[(3-phenylphenyl)methyl]-N-propan-2-ylpiperidine-2-carboxamide (CID 175662616) is 2-[(3-phenylphenyl)methyl]-N-propan-2-ylpiperidine-2-carboxamide.
What is the SMILES notation for 2-[(3-phenylphenyl)methyl]-N-propan-2-ylpiperidine-2-carboxamide?
The canonical SMILES for 2-[(3-phenylphenyl)methyl]-N-propan-2-ylpiperidine-2-carboxamide is CC(C)NC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCCCN1.
What is the InChIKey of 2-[(3-phenylphenyl)methyl]-N-propan-2-ylpiperidine-2-carboxamide?
The InChIKey is VQEOVZXTGKZMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-17(2)24-21(25)22(13-6-7-14-23-22)16-18-9-8-12-20(15-18)19-10-4-3-5-11-19/h3-5,8-12,15,17,23H,6-7,13-14,16H2,1-2H3,(H,24,25).
What are the key properties of 2-[(3-phenylphenyl)methyl]-N-propan-2-ylpiperidine-2-carboxamide?
2-[(3-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-[(3-phenylphenyl)methyl]-N-propan-2-ylpiperidine-2-carboxamide is sourced from PubChem (CID 175662616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).