N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide

C21H24N2O2 — CID 46464328

IUPACN-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C21H24N2O2/c24-20(12-11-17-7-3-1-4-8-17)22-19-13-15-23(16-14-19)21(25)18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H,22,24)
InChIKeyIRTNEDVKZMXRFC-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.04
Rot. Bonds5

About N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide

N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide (PubChem CID 46464328) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide
PubChem CID46464328
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C21H24N2O2/c24-20(12-11-17-7-3-1-4-8-17)22-19-13-15-23(16-14-19)21(25)18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H,22,24)
InChIKeyIRTNEDVKZMXRFC-UHFFFAOYSA-N
XLogP3.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(3-phenylpropanoylamino)piperidine-1-carbonyl]benzoic acid
CID 113083308
3-(4-methylphenyl)-N-[1-(4-phenylbenzoyl)piperidin-4-yl]propanamide
CID 108556350
N-[1-(4-cyclopentyloxybenzoyl)piperidin-4-yl]-3-phenylpropanamide
CID 55692214
3-phenyl-N-[1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carbonyl]piperidin-4-yl]propanamide
CID 47056405
3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
CID 108555415
N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 108561867
phenyl-[4-(2-phenylethylamino)piperidin-1-yl]methanone
CID 142654870
N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-3-phenylpropanamide
CID 46464176
N-[1-[4-(oxolan-2-ylmethoxy)benzoyl]piperidin-4-yl]-3-phenylpropanamide
CID 46455343
N-[1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]piperidin-4-yl]-3-phenylpropanamide
CID 46455348
2-phenyl-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]acetamide
CID 108551296
N-[1-(4-bromobenzoyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556360

Frequently Asked Questions

What is the IUPAC name of N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide?
The IUPAC name of N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide (CID 46464328) is N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide?
The canonical SMILES for N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide is O=C(CCc1ccccc1)NC1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide?
The InChIKey is IRTNEDVKZMXRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c24-20(12-11-17-7-3-1-4-8-17)22-19-13-15-23(16-14-19)21(25)18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H,22,24).
What are the key properties of N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide?
N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide has a molecular weight of 336.44 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide is sourced from PubChem (CID 46464328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).