1-[2-(4-methoxyphenoxy)ethyl]-N-[(4-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide

C28H33N3O3 — CID 46943175

IUPAC1-[2-(4-methoxyphenoxy)ethyl]-N-[(4-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide
SMILESCOc1ccc(OCCN2CCC(C(=O)NC(c3ccc(C)cc3)c3ccccn3)CC2)cc1
InChIInChI=1S/C28H33N3O3/c1-21-6-8-22(9-7-21)27(26-5-3-4-16-29-26)30-28(32)23-14-17-31(18-15-23)19-20-34-25-12-10-24(33-2)11-13-25/h3-13,16,23,27H,14-15,17-20H2,1-2H3,(H,30,32)
InChIKeyPRRDXFNPPPONKF-UHFFFAOYSA-N
MW459.59 g/mol
LogP4.40
Rot. Bonds9

About 1-[2-(4-methoxyphenoxy)ethyl]-N-[(4-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide

1-[2-(4-methoxyphenoxy)ethyl]-N-[(4-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide (PubChem CID 46943175) has the molecular formula C28H33N3O3 and a molecular weight of 459.59 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)ethyl]-N-[(4-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)ethyl]-N-[(4-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide
PubChem CID46943175
Molecular FormulaC28H33N3O3
Molecular Weight459.59 g/mol
Exact Mass459.25
IUPAC Name1-[2-(4-methoxyphenoxy)ethyl]-N-[(4-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide
SMILESCOc1ccc(OCCN2CCC(C(=O)NC(c3ccc(C)cc3)c3ccccn3)CC2)cc1
InChIInChI=1S/C28H33N3O3/c1-21-6-8-22(9-7-21)27(26-5-3-4-16-29-26)30-28(32)23-14-17-31(18-15-23)19-20-34-25-12-10-24(33-2)11-13-25/h3-13,16,23,27H,14-15,17-20H2,1-2H3,(H,30,32)
InChIKeyPRRDXFNPPPONKF-UHFFFAOYSA-N
XLogP4.40
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(4-methoxyphenoxy)ethyl]-N-[(4-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tirbanibulin
CID 23635314
Suvecaltamide
CID 24765479
2-[4-(3-methylpyrazin-2-yl)phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl]acetamide
CID 42609962
Tta-A2
CID 53317097
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
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-4-pyridin-2-ylbenzamide
CID 44427818
1-(4-methoxybenzyl)-N-[4-(3-pyridinyloxy)phenyl]-4-piperidinecarboxamide
CID 24790246
[(1R)-3-methyl-1-[[(2S)-2-(morpholine-4-carbonylamino)-3-[4-(pyridin-2-ylmethoxy)phenyl]propanoyl]amino]butyl]boronic acid
CID 10141644
N-benzyl-2-[5-[4-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethoxy]phenyl]-2-pyridinyl]acetamide
CID 166635072
N-benzyl-2-[5-[4-[2-[4-[(1S,2S)-2-fluorocyclopropanecarbonyl]piperazin-1-yl]ethoxy]phenyl]-2-pyridinyl]acetamide
CID 166635524

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-N-[(4-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-N-[(4-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide (CID 46943175) is 1-[2-(4-methoxyphenoxy)ethyl]-N-[(4-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)ethyl]-N-[(4-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)ethyl]-N-[(4-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide is COc1ccc(OCCN2CCC(C(=O)NC(c3ccc(C)cc3)c3ccccn3)CC2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)ethyl]-N-[(4-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide?
The InChIKey is PRRDXFNPPPONKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O3/c1-21-6-8-22(9-7-21)27(26-5-3-4-16-29-26)30-28(32)23-14-17-31(18-15-23)19-20-34-25-12-10-24(33-2)11-13-25/h3-13,16,23,27H,14-15,17-20H2,1-2H3,(H,30,32).
What are the key properties of 1-[2-(4-methoxyphenoxy)ethyl]-N-[(4-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide?
1-[2-(4-methoxyphenoxy)ethyl]-N-[(4-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide has a molecular weight of 459.59 g/mol, XLogP of 4.40, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenoxy)ethyl]-N-[(4-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide is sourced from PubChem (CID 46943175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).