N-methyl-4-oxo-4-(4-phenylphenyl)-N-piperidin-4-ylbutanamide

C22H26N2O2 — CID 119443079

IUPACN-methyl-4-oxo-4-(4-phenylphenyl)-N-piperidin-4-ylbutanamide
SMILESCN(C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)C1CCNCC1
InChIInChI=1S/C22H26N2O2/c1-24(20-13-15-23-16-14-20)22(26)12-11-21(25)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-10,20,23H,11-16H2,1H3
InChIKeyQFANHFREPBSEPK-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.53
Rot. Bonds6

About N-methyl-4-oxo-4-(4-phenylphenyl)-N-piperidin-4-ylbutanamide

N-methyl-4-oxo-4-(4-phenylphenyl)-N-piperidin-4-ylbutanamide (PubChem CID 119443079) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-methyl-4-oxo-4-(4-phenylphenyl)-N-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-methyl-4-oxo-4-(4-phenylphenyl)-N-piperidin-4-ylbutanamide
PubChem CID119443079
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-methyl-4-oxo-4-(4-phenylphenyl)-N-piperidin-4-ylbutanamide
SMILESCN(C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)C1CCNCC1
InChIInChI=1S/C22H26N2O2/c1-24(20-13-15-23-16-14-20)22(26)12-11-21(25)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-10,20,23H,11-16H2,1H3
InChIKeyQFANHFREPBSEPK-UHFFFAOYSA-N
XLogP3.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-(4-methylphenyl)-4-oxo-N-piperidin-4-ylbutanamide
CID 119442941
N-methyl-4-(4-methylphenyl)-4-oxo-N-piperidin-4-ylbutanamide;hydrochloride
CID 119442940
N-methyl-2-(4-phenylphenyl)-N-piperidin-4-ylacetamide;hydrochloride
CID 119441133
N,N-dimethyl-4-oxo-4-(4-phenylphenyl)butanamide
CID 154274689
N-methyl-3-(2-phenylphenoxy)-N-piperidin-4-ylpropanamide
CID 119443416
4-(4-butylphenyl)-N-methyl-4-oxo-N-pyrrolidin-3-ylbutanamide
CID 119554642
N-(azepan-4-yl)-N-methyl-3-phenylpropanamide
CID 104974503
N-methyl-N-(1-methylpiperidin-4-yl)-4-oxo-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butanamide
CID 58884651
N-methyl-4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119553689
N-methyl-2-phenylsulfanyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119442580
2-hydroxy-N-methyl-N-piperidin-4-ylacetamide
CID 89098845
3-benzyl-N-methyl-4-phenyl-N-piperidin-4-ylbutanamide
CID 119443283

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-oxo-4-(4-phenylphenyl)-N-piperidin-4-ylbutanamide?
The IUPAC name of N-methyl-4-oxo-4-(4-phenylphenyl)-N-piperidin-4-ylbutanamide (CID 119443079) is N-methyl-4-oxo-4-(4-phenylphenyl)-N-piperidin-4-ylbutanamide.
What is the SMILES notation for N-methyl-4-oxo-4-(4-phenylphenyl)-N-piperidin-4-ylbutanamide?
The canonical SMILES for N-methyl-4-oxo-4-(4-phenylphenyl)-N-piperidin-4-ylbutanamide is CN(C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)C1CCNCC1.
What is the InChIKey of N-methyl-4-oxo-4-(4-phenylphenyl)-N-piperidin-4-ylbutanamide?
The InChIKey is QFANHFREPBSEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-24(20-13-15-23-16-14-20)22(26)12-11-21(25)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-10,20,23H,11-16H2,1H3.
What are the key properties of N-methyl-4-oxo-4-(4-phenylphenyl)-N-piperidin-4-ylbutanamide?
N-methyl-4-oxo-4-(4-phenylphenyl)-N-piperidin-4-ylbutanamide has a molecular weight of 350.46 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-oxo-4-(4-phenylphenyl)-N-piperidin-4-ylbutanamide is sourced from PubChem (CID 119443079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).