N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methoxybenzamide

C26H28FN3O2 — CID 110229241

IUPACN-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(c1ccccn1)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C26H28FN3O2/c1-32-24-14-5-3-11-21(24)26(31)29-25(23-13-6-7-15-28-23)20-10-8-16-30(18-20)17-19-9-2-4-12-22(19)27/h2-7,9,11-15,20,25H,8,10,16-18H2,1H3,(H,29,31)
InChIKeyRCCXDFAGLGPRER-UHFFFAOYSA-N
MW433.53 g/mol
LogP4.61
Rot. Bonds7

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

N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methoxybenzamide (PubChem CID 110229241) has the molecular formula C26H28FN3O2 and a molecular weight of 433.53 g/mol. Its IUPAC name is N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methoxybenzamide
PubChem CID110229241
Molecular FormulaC26H28FN3O2
Molecular Weight433.53 g/mol
Exact Mass433.22
IUPAC NameN-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(c1ccccn1)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C26H28FN3O2/c1-32-24-14-5-3-11-21(24)26(31)29-25(23-13-6-7-15-28-23)20-10-8-16-30(18-20)17-19-9-2-4-12-22(19)27/h2-7,9,11-15,20,25H,8,10,16-18H2,1H3,(H,29,31)
InChIKeyRCCXDFAGLGPRER-UHFFFAOYSA-N
XLogP4.61
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(R)-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide
CID 92561820
N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide
CID 110228754
3-fluoro-N-[(S)-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]benzamide
CID 95795487
N-[(S)-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclopentanecarboxamide
CID 95795377
N-[(R)-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-methylbutanamide
CID 95795365
N-[(S)-[(3R)-1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-methoxypropanamide
CID 92611083
N-[(S)-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-phenylpropanamide
CID 95795528
(2R)-N-[(R)-[(3S)-1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]oxolane-2-carboxamide
CID 124799837
N-[(R)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-methylbenzamide
CID 92561853
N-[(S)-[(3S)-1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide
CID 92577245
N-[[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide
CID 110228759
2-methyl-N-[(S)-pyridin-2-yl-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 92561823

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methoxybenzamide?
The IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methoxybenzamide (CID 110229241) is N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methoxybenzamide?
The canonical SMILES for N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methoxybenzamide is COc1ccccc1C(=O)NC(c1ccccn1)C1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methoxybenzamide?
The InChIKey is RCCXDFAGLGPRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O2/c1-32-24-14-5-3-11-21(24)26(31)29-25(23-13-6-7-15-28-23)20-10-8-16-30(18-20)17-19-9-2-4-12-22(19)27/h2-7,9,11-15,20,25H,8,10,16-18H2,1H3,(H,29,31).
What are the key properties of N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methoxybenzamide?
N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methoxybenzamide has a molecular weight of 433.53 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methoxybenzamide is sourced from PubChem (CID 110229241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).