N-[(R)-(3-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide

C27H31N3O3 — CID 137423664

IUPACN-[(R)-(3-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
SMILESCOc1cccc([C@@H](NC(=O)C2CCN(CCOc3ccccc3)CC2)c2ccccn2)c1
InChIInChI=1S/C27H31N3O3/c1-32-24-11-7-8-22(20-24)26(25-12-5-6-15-28-25)29-27(31)21-13-16-30(17-14-21)18-19-33-23-9-3-2-4-10-23/h2-12,15,20-21,26H,13-14,16-19H2,1H3,(H,29,31)/t26-/m1/s1
InChIKeyNFXJNKBSQYCEAG-AREMUKBSSA-N
MW445.56 g/mol
LogP4.09
Rot. Bonds9

About N-[(R)-(3-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide

N-[(R)-(3-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide (PubChem CID 137423664) has the molecular formula C27H31N3O3 and a molecular weight of 445.56 g/mol. Its IUPAC name is N-[(R)-(3-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(R)-(3-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
PubChem CID137423664
Molecular FormulaC27H31N3O3
Molecular Weight445.56 g/mol
Exact Mass445.24
IUPAC NameN-[(R)-(3-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
SMILESCOc1cccc([C@@H](NC(=O)C2CCN(CCOc3ccccc3)CC2)c2ccccn2)c1
InChIInChI=1S/C27H31N3O3/c1-32-24-11-7-8-22(20-24)26(25-12-5-6-15-28-25)29-27(31)21-13-16-30(17-14-21)18-19-33-23-9-3-2-4-10-23/h2-12,15,20-21,26H,13-14,16-19H2,1H3,(H,29,31)/t26-/m1/s1
InChIKeyNFXJNKBSQYCEAG-AREMUKBSSA-N
XLogP4.09
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(R)-(3-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)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
N-[3-[(3-fluorophenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 72712050
1-(4-methoxybenzyl)-N-[4-(3-pyridinyloxy)phenyl]-4-piperidinecarboxamide
CID 24790246
2-Methyl-3-({[3'-(Piperidin-4-Yl)[1,1'-Biphenyl]-4-Yl]oxy}methyl)pyridine
CID 129900135
N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylcyclohexane-1-carboxamide
CID 168280932
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 N-[(R)-(3-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide?
The IUPAC name of N-[(R)-(3-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide (CID 137423664) is N-[(R)-(3-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(R)-(3-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(R)-(3-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide is COc1cccc([C@@H](NC(=O)C2CCN(CCOc3ccccc3)CC2)c2ccccn2)c1.
What is the InChIKey of N-[(R)-(3-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide?
The InChIKey is NFXJNKBSQYCEAG-AREMUKBSSA-N. The full InChI is InChI=1S/C27H31N3O3/c1-32-24-11-7-8-22(20-24)26(25-12-5-6-15-28-25)29-27(31)21-13-16-30(17-14-21)18-19-33-23-9-3-2-4-10-23/h2-12,15,20-21,26H,13-14,16-19H2,1H3,(H,29,31)/t26-/m1/s1.
What are the key properties of N-[(R)-(3-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide?
N-[(R)-(3-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide has a molecular weight of 445.56 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(3-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 137423664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).