N-[(R)-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide

C26H28FN3O — CID 92561820

IUPACN-[(R)-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C26H28FN3O/c1-19-9-2-4-12-22(19)26(31)29-25(24-14-6-7-15-28-24)21-11-8-16-30(18-21)17-20-10-3-5-13-23(20)27/h2-7,9-10,12-15,21,25H,8,11,16-18H2,1H3,(H,29,31)/t21-,25+/m0/s1
InChIKeyVCDXCLFDGWAWMW-SQJMNOBHSA-N
MW417.53 g/mol
LogP4.91
Rot. Bonds6

About N-[(R)-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide

N-[(R)-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide (PubChem CID 92561820) has the molecular formula C26H28FN3O and a molecular weight of 417.53 g/mol. Its IUPAC name is N-[(R)-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(R)-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide
PubChem CID92561820
Molecular FormulaC26H28FN3O
Molecular Weight417.53 g/mol
Exact Mass417.22
IUPAC NameN-[(R)-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C26H28FN3O/c1-19-9-2-4-12-22(19)26(31)29-25(24-14-6-7-15-28-24)21-11-8-16-30(18-21)17-20-10-3-5-13-23(20)27/h2-7,9-10,12-15,21,25H,8,11,16-18H2,1H3,(H,29,31)/t21-,25+/m0/s1
InChIKeyVCDXCLFDGWAWMW-SQJMNOBHSA-N
XLogP4.91
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methoxybenzamide
CID 110229241
N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide
CID 110228754
2-methyl-N-[(S)-pyridin-2-yl-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 92561823
N-[[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide
CID 110228759
3-fluoro-N-[(S)-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]benzamide
CID 95795487
N-[(S)-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-phenylpropanamide
CID 95795528
N-[(R)-[(3R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide
CID 92561790
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylbenzamide
CID 23723582
N-[(S)-[(3S)-1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide
CID 92577245
N-[(S)-[(3R)-1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-methoxypropanamide
CID 92611083
N-[(R)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-methylbenzamide
CID 92561853
3-methoxy-N-[[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]propanamide
CID 46951192

Frequently Asked Questions

What is the IUPAC name of N-[(R)-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide?
The IUPAC name of N-[(R)-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide (CID 92561820) is N-[(R)-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide.
What is the SMILES notation for N-[(R)-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide?
The canonical SMILES for N-[(R)-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide is Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of N-[(R)-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide?
The InChIKey is VCDXCLFDGWAWMW-SQJMNOBHSA-N. The full InChI is InChI=1S/C26H28FN3O/c1-19-9-2-4-12-22(19)26(31)29-25(24-14-6-7-15-28-24)21-11-8-16-30(18-21)17-20-10-3-5-13-23(20)27/h2-7,9-10,12-15,21,25H,8,11,16-18H2,1H3,(H,29,31)/t21-,25+/m0/s1.
What are the key properties of N-[(R)-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide?
N-[(R)-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide has a molecular weight of 417.53 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide is sourced from PubChem (CID 92561820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).