N-[4-[4-[2-(benzylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]phenyl]benzamide

C33H33N3O2 — CID 58787317

IUPACN-[4-[4-[2-(benzylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(N2CCC(C(C(=O)NCc3ccccc3)c3ccccc3)CC2)cc1)c1ccccc1
InChIInChI=1S/C33H33N3O2/c37-32(28-14-8-3-9-15-28)35-29-16-18-30(19-17-29)36-22-20-27(21-23-36)31(26-12-6-2-7-13-26)33(38)34-24-25-10-4-1-5-11-25/h1-19,27,31H,20-24H2,(H,34,38)(H,35,37)
InChIKeyHDDORXWISQMSAQ-UHFFFAOYSA-N
MW503.65 g/mol
LogP6.26
Rot. Bonds8

About N-[4-[4-[2-(benzylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]phenyl]benzamide

N-[4-[4-[2-(benzylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]phenyl]benzamide (PubChem CID 58787317) has the molecular formula C33H33N3O2 and a molecular weight of 503.65 g/mol. Its IUPAC name is N-[4-[4-[2-(benzylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[4-[2-(benzylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]phenyl]benzamide
PubChem CID58787317
Molecular FormulaC33H33N3O2
Molecular Weight503.65 g/mol
Exact Mass503.26
IUPAC NameN-[4-[4-[2-(benzylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(N2CCC(C(C(=O)NCc3ccccc3)c3ccccc3)CC2)cc1)c1ccccc1
InChIInChI=1S/C33H33N3O2/c37-32(28-14-8-3-9-15-28)35-29-16-18-30(19-17-29)36-22-20-27(21-23-36)31(26-12-6-2-7-13-26)33(38)34-24-25-10-4-1-5-11-25/h1-19,27,31H,20-24H2,(H,34,38)(H,35,37)
InChIKeyHDDORXWISQMSAQ-UHFFFAOYSA-N
XLogP6.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.65
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminophenyl)-N-[4-[4-[2-(benzylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]phenyl]benzamide
CID 20773824
N-[4-[4-(2-anilino-2-oxo-1-phenylethyl)piperidin-1-yl]phenyl]-2-benzylbenzamide
CID 20773851
N-[4-[4-[2-(benzylamino)-1-phenylprop-2-enyl]piperidin-1-yl]phenyl]-2-(2-methylphenyl)benzamide
CID 89016935
N-[4-[4-[2-(benzylamino)-1-cyclohepta-1,3,6-trien-1-yl-2-oxoethyl]piperidin-1-yl]phenyl]-2-phenoxybenzamide
CID 142122709
N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 3837739
2-cyclopropyl-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 110409297
N-benzyl-2-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 110355576
2-[4-(4-benzamidophenyl)piperazin-1-yl]-2-phenylacetic acid
CID 69324155
(2R)-2-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-phenylacetamide
CID 95989343
N-benzyl-4-[(2,2-diphenylacetyl)amino]benzamide
CID 22449907
N-[4-(4-methylpiperidin-1-yl)phenyl]-2,2-diphenylacetamide
CID 19629747
N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide
CID 112988758

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-(benzylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]phenyl]benzamide?
The IUPAC name of N-[4-[4-[2-(benzylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]phenyl]benzamide (CID 58787317) is N-[4-[4-[2-(benzylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]phenyl]benzamide.
What is the SMILES notation for N-[4-[4-[2-(benzylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]phenyl]benzamide?
The canonical SMILES for N-[4-[4-[2-(benzylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]phenyl]benzamide is O=C(Nc1ccc(N2CCC(C(C(=O)NCc3ccccc3)c3ccccc3)CC2)cc1)c1ccccc1.
What is the InChIKey of N-[4-[4-[2-(benzylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]phenyl]benzamide?
The InChIKey is HDDORXWISQMSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N3O2/c37-32(28-14-8-3-9-15-28)35-29-16-18-30(19-17-29)36-22-20-27(21-23-36)31(26-12-6-2-7-13-26)33(38)34-24-25-10-4-1-5-11-25/h1-19,27,31H,20-24H2,(H,34,38)(H,35,37).
What are the key properties of N-[4-[4-[2-(benzylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]phenyl]benzamide?
N-[4-[4-[2-(benzylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]phenyl]benzamide has a molecular weight of 503.65 g/mol, XLogP of 6.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-(benzylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]phenyl]benzamide is sourced from PubChem (CID 58787317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).