N-[(R)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-methylbenzamide

C27H31N3O2 — CID 92561853

IUPACN-[(R)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-methylbenzamide
SMILESCOc1ccccc1CN1CCC([C@@H](NC(=O)c2ccccc2C)c2ccccn2)CC1
InChIInChI=1S/C27H31N3O2/c1-20-9-3-5-11-23(20)27(31)29-26(24-12-7-8-16-28-24)21-14-17-30(18-15-21)19-22-10-4-6-13-25(22)32-2/h3-13,16,21,26H,14-15,17-19H2,1-2H3,(H,29,31)/t26-/m1/s1
InChIKeyYQRBOCRLDVCOFT-AREMUKBSSA-N
MW429.56 g/mol
LogP4.78
Rot. Bonds7

About N-[(R)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-methylbenzamide

N-[(R)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-methylbenzamide (PubChem CID 92561853) has the molecular formula C27H31N3O2 and a molecular weight of 429.56 g/mol. Its IUPAC name is N-[(R)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(R)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-methylbenzamide
PubChem CID92561853
Molecular FormulaC27H31N3O2
Molecular Weight429.56 g/mol
Exact Mass429.24
IUPAC NameN-[(R)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-methylbenzamide
SMILESCOc1ccccc1CN1CCC([C@@H](NC(=O)c2ccccc2C)c2ccccn2)CC1
InChIInChI=1S/C27H31N3O2/c1-20-9-3-5-11-23(20)27(31)29-26(24-12-7-8-16-28-24)21-14-17-30(18-15-21)19-22-10-4-6-13-25(22)32-2/h3-13,16,21,26H,14-15,17-19H2,1-2H3,(H,29,31)/t26-/m1/s1
InChIKeyYQRBOCRLDVCOFT-AREMUKBSSA-N
XLogP4.78
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide
CID 110228754
N-[(R)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide
CID 95857787
N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]cyclopropanecarboxamide
CID 110226611
N-[(S)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide
CID 92601741
N-[(R)-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide
CID 92561820
N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methoxybenzamide
CID 110229241
N-[(S)-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 95850865
N-[[1-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 110226609
2-cyclopentyl-N-[[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 110228666
2-methyl-N-[(S)-pyridin-2-yl-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 92561823
N-[(R)-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 92551996
N-[(S)-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclopentanecarboxamide
CID 95795377

Frequently Asked Questions

What is the IUPAC name of N-[(R)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-methylbenzamide?
The IUPAC name of N-[(R)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-methylbenzamide (CID 92561853) is N-[(R)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-methylbenzamide.
What is the SMILES notation for N-[(R)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-methylbenzamide?
The canonical SMILES for N-[(R)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-methylbenzamide is COc1ccccc1CN1CCC([C@@H](NC(=O)c2ccccc2C)c2ccccn2)CC1.
What is the InChIKey of N-[(R)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-methylbenzamide?
The InChIKey is YQRBOCRLDVCOFT-AREMUKBSSA-N. The full InChI is InChI=1S/C27H31N3O2/c1-20-9-3-5-11-23(20)27(31)29-26(24-12-7-8-16-28-24)21-14-17-30(18-15-21)19-22-10-4-6-13-25(22)32-2/h3-13,16,21,26H,14-15,17-19H2,1-2H3,(H,29,31)/t26-/m1/s1.
What are the key properties of N-[(R)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-methylbenzamide?
N-[(R)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-methylbenzamide has a molecular weight of 429.56 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-methylbenzamide is sourced from PubChem (CID 92561853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).