N-benzyl-2-[5-[4-[2-(4-methoxypiperidin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide

C28H33N3O3 — CID 166627132

IUPACN-benzyl-2-[5-[4-[2-(4-methoxypiperidin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide
SMILESCOC1CCN(CCOc2ccc(-c3ccc(CC(=O)NCc4ccccc4)nc3)cc2)CC1
InChIInChI=1S/C28H33N3O3/c1-33-26-13-15-31(16-14-26)17-18-34-27-11-8-23(9-12-27)24-7-10-25(29-21-24)19-28(32)30-20-22-5-3-2-4-6-22/h2-12,21,26H,13-20H2,1H3,(H,30,32)
InChIKeyLNBYWPAKAXUSRM-UHFFFAOYSA-N
MW459.59 g/mol
LogP4.10
Rot. Bonds10

About N-benzyl-2-[5-[4-[2-(4-methoxypiperidin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide

N-benzyl-2-[5-[4-[2-(4-methoxypiperidin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide (PubChem CID 166627132) has the molecular formula C28H33N3O3 and a molecular weight of 459.59 g/mol. Its IUPAC name is N-benzyl-2-[5-[4-[2-(4-methoxypiperidin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[5-[4-[2-(4-methoxypiperidin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide
PubChem CID166627132
Molecular FormulaC28H33N3O3
Molecular Weight459.59 g/mol
Exact Mass459.25
IUPAC NameN-benzyl-2-[5-[4-[2-(4-methoxypiperidin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide
SMILESCOC1CCN(CCOc2ccc(-c3ccc(CC(=O)NCc4ccccc4)nc3)cc2)CC1
InChIInChI=1S/C28H33N3O3/c1-33-26-13-15-31(16-14-26)17-18-34-27-11-8-23(9-12-27)24-7-10-25(29-21-24)19-28(32)30-20-22-5-3-2-4-6-22/h2-12,21,26H,13-20H2,1H3,(H,30,32)
InChIKeyLNBYWPAKAXUSRM-UHFFFAOYSA-N
XLogP4.10
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Tirbanibulin
CID 23635314
N-Methyl-N-((2-(1-(2-(methylamino)ethyl)piperidin-4-yl)pyridin-4-yl)methyl)-3-phenoxybenzamide
CID 122707126
2-[5-[4-[2-[4-(2-cyclopropylethanoyl)piperazin-1-yl]ethoxy]phenyl]pyridin-2-yl]-N-(phenylmethyl)ethanamide
CID 155925939
Nalpha-[trans-4-(Aminomethyl)cyclohexane-1-Carbonyl]-N-Octyl-O-[(Pyridin-4-Yl)methyl]-L-Tyrosinamide
CID 10697355
4-fluoro-3-[2-(4-methoxyphenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396291
Vpc32183
CID 44392752
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-4-pyridin-2-ylbenzamide
CID 44427818
N-((2,4-dimethylphenyl)(phenyl)methyl)-2-(4-(2-hydroxy-2-(2-methylpyridin-3-yl)ethoxy)phenyl)acetamide
CID 71494750
12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-13,13-dimethyl-11-oxo-3-(phenylmethyl)-9-((4-(2-(2-pyridinyl)ethoxy)phenyl)methyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-
CID 463278
2-Methyl-3-({[3'-(Piperidin-4-Yl)[1,1'-Biphenyl]-4-Yl]oxy}methyl)pyridine
CID 129900135
hnpsPLA2-IIa Inhibitor, 2f
CID 57339609
[(1R)-3-methyl-1-[[(2S)-2-(morpholine-4-carbonylamino)-3-[4-(pyridin-2-ylmethoxy)phenyl]propanoyl]amino]butyl]boronic acid
CID 10141644

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[5-[4-[2-(4-methoxypiperidin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide?
The IUPAC name of N-benzyl-2-[5-[4-[2-(4-methoxypiperidin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide (CID 166627132) is N-benzyl-2-[5-[4-[2-(4-methoxypiperidin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-benzyl-2-[5-[4-[2-(4-methoxypiperidin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-benzyl-2-[5-[4-[2-(4-methoxypiperidin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide is COC1CCN(CCOc2ccc(-c3ccc(CC(=O)NCc4ccccc4)nc3)cc2)CC1.
What is the InChIKey of N-benzyl-2-[5-[4-[2-(4-methoxypiperidin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide?
The InChIKey is LNBYWPAKAXUSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O3/c1-33-26-13-15-31(16-14-26)17-18-34-27-11-8-23(9-12-27)24-7-10-25(29-21-24)19-28(32)30-20-22-5-3-2-4-6-22/h2-12,21,26H,13-20H2,1H3,(H,30,32).
What are the key properties of N-benzyl-2-[5-[4-[2-(4-methoxypiperidin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide?
N-benzyl-2-[5-[4-[2-(4-methoxypiperidin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide has a molecular weight of 459.59 g/mol, XLogP of 4.10, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[5-[4-[2-(4-methoxypiperidin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 166627132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).