N-[(5-ethylpiperidin-2-yl)-quinolin-4-ylmethyl]-2-(4-phenylphenyl)acetamide

C31H33N3O — CID 142216930

IUPACN-[(5-ethylpiperidin-2-yl)-quinolin-4-ylmethyl]-2-(4-phenylphenyl)acetamide
SMILESCCC1CCC(C(NC(=O)Cc2ccc(-c3ccccc3)cc2)c2ccnc3ccccc23)NC1
InChIInChI=1S/C31H33N3O/c1-2-22-14-17-29(33-21-22)31(27-18-19-32-28-11-7-6-10-26(27)28)34-30(35)20-23-12-15-25(16-13-23)24-8-4-3-5-9-24/h3-13,15-16,18-19,22,29,31,33H,2,14,17,20-21H2,1H3,(H,34,35)
InChIKeyPNHRBQPVGQJUNH-UHFFFAOYSA-N
MW463.63 g/mol
LogP6.08
Rot. Bonds7

About N-[(5-ethylpiperidin-2-yl)-quinolin-4-ylmethyl]-2-(4-phenylphenyl)acetamide

N-[(5-ethylpiperidin-2-yl)-quinolin-4-ylmethyl]-2-(4-phenylphenyl)acetamide (PubChem CID 142216930) has the molecular formula C31H33N3O and a molecular weight of 463.63 g/mol. Its IUPAC name is N-[(5-ethylpiperidin-2-yl)-quinolin-4-ylmethyl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-[(5-ethylpiperidin-2-yl)-quinolin-4-ylmethyl]-2-(4-phenylphenyl)acetamide
PubChem CID142216930
Molecular FormulaC31H33N3O
Molecular Weight463.63 g/mol
Exact Mass463.26
IUPAC NameN-[(5-ethylpiperidin-2-yl)-quinolin-4-ylmethyl]-2-(4-phenylphenyl)acetamide
SMILESCCC1CCC(C(NC(=O)Cc2ccc(-c3ccccc3)cc2)c2ccnc3ccccc23)NC1
InChIInChI=1S/C31H33N3O/c1-2-22-14-17-29(33-21-22)31(27-18-19-32-28-11-7-6-10-26(27)28)34-30(35)20-23-12-15-25(16-13-23)24-8-4-3-5-9-24/h3-13,15-16,18-19,22,29,31,33H,2,14,17,20-21H2,1H3,(H,34,35)
InChIKeyPNHRBQPVGQJUNH-UHFFFAOYSA-N
XLogP6.08
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.63
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;[(5-ethylpiperidin-2-yl)-quinolin-4-ylmethyl] 3-methyl-2-[(Z)-prop-1-enyl]-1H-indene-1-carboxylate
CID 142216956
2-(1,3-benzodioxol-5-yl)-N-[(R)-[(2R,4R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethyl]acetamide
CID 58697141
N-[cyclopropyl(quinolin-4-yl)methyl]ethanamine
CID 105157242
2-methoxy-N-[[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 110228631
N-[(1R)-2-methyl-1-phenylpropyl]-2-(4-phenylphenyl)acetamide
CID 2215611
N-[(R)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 90854834
ethane;[(5-ethenylpiperidin-2-yl)-quinolin-4-ylmethyl] N-phenylcarbamate
CID 142216914
3-acetamido-3-quinolin-4-ylpropanoic acid
CID 63868077
N-[(R)-[(2R,4R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethyl]-1-phenylcyclopentane-1-carboxamide
CID 58697124
N-[(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethyl]-2-phenylpropanamide
CID 21048944
N-[(S)-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-phenylacetamide
CID 92574484
2-quinolin-4-ylpropanoic acid
CID 127018626

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylpiperidin-2-yl)-quinolin-4-ylmethyl]-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-[(5-ethylpiperidin-2-yl)-quinolin-4-ylmethyl]-2-(4-phenylphenyl)acetamide (CID 142216930) is N-[(5-ethylpiperidin-2-yl)-quinolin-4-ylmethyl]-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-[(5-ethylpiperidin-2-yl)-quinolin-4-ylmethyl]-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-[(5-ethylpiperidin-2-yl)-quinolin-4-ylmethyl]-2-(4-phenylphenyl)acetamide is CCC1CCC(C(NC(=O)Cc2ccc(-c3ccccc3)cc2)c2ccnc3ccccc23)NC1.
What is the InChIKey of N-[(5-ethylpiperidin-2-yl)-quinolin-4-ylmethyl]-2-(4-phenylphenyl)acetamide?
The InChIKey is PNHRBQPVGQJUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N3O/c1-2-22-14-17-29(33-21-22)31(27-18-19-32-28-11-7-6-10-26(27)28)34-30(35)20-23-12-15-25(16-13-23)24-8-4-3-5-9-24/h3-13,15-16,18-19,22,29,31,33H,2,14,17,20-21H2,1H3,(H,34,35).
What are the key properties of N-[(5-ethylpiperidin-2-yl)-quinolin-4-ylmethyl]-2-(4-phenylphenyl)acetamide?
N-[(5-ethylpiperidin-2-yl)-quinolin-4-ylmethyl]-2-(4-phenylphenyl)acetamide has a molecular weight of 463.63 g/mol, XLogP of 6.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylpiperidin-2-yl)-quinolin-4-ylmethyl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 142216930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).