2-cyclopentyl-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide

C25H32FN3O — CID 110228657

IUPAC2-cyclopentyl-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
SMILESO=C(CC1CCCC1)NC(c1ccccn1)C1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C25H32FN3O/c26-22-10-4-3-9-21(22)18-29-15-12-20(13-16-29)25(23-11-5-6-14-27-23)28-24(30)17-19-7-1-2-8-19/h3-6,9-11,14,19-20,25H,1-2,7-8,12-13,15-18H2,(H,28,30)
InChIKeyHQAXMORTNCCEEF-UHFFFAOYSA-N
MW409.55 g/mol
LogP4.87
Rot. Bonds7

About 2-cyclopentyl-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide

2-cyclopentyl-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide (PubChem CID 110228657) has the molecular formula C25H32FN3O and a molecular weight of 409.55 g/mol. Its IUPAC name is 2-cyclopentyl-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
PubChem CID110228657
Molecular FormulaC25H32FN3O
Molecular Weight409.55 g/mol
Exact Mass409.25
IUPAC Name2-cyclopentyl-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
SMILESO=C(CC1CCCC1)NC(c1ccccn1)C1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C25H32FN3O/c26-22-10-4-3-9-21(22)18-29-15-12-20(13-16-29)25(23-11-5-6-14-27-23)28-24(30)17-19-7-1-2-8-19/h3-6,9-11,14,19-20,25H,1-2,7-8,12-13,15-18H2,(H,28,30)
InChIKeyHQAXMORTNCCEEF-UHFFFAOYSA-N
XLogP4.87
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide
CID 92572787
2-cyclopentyl-N-[[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 110228666
2-cyclopentyl-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 110228643
3-fluoro-N-[(S)-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]benzamide
CID 92572784
N-[(S)-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-phenylpropanamide
CID 95795528
N-[(S)-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-phenylacetamide
CID 92574484
2-cyclopentyl-N-[(S)-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]acetamide
CID 95795440
2-phenyl-N-[(S)-pyridin-2-yl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 92574491
2-phenyl-N-[pyridin-2-yl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 110228582
N-[(R)-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide
CID 92561820
3-fluoro-N-[(S)-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]benzamide
CID 95795487
N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methoxybenzamide
CID 110229241

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide (CID 110228657) is 2-cyclopentyl-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide is O=C(CC1CCCC1)NC(c1ccccn1)C1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of 2-cyclopentyl-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide?
The InChIKey is HQAXMORTNCCEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN3O/c26-22-10-4-3-9-21(22)18-29-15-12-20(13-16-29)25(23-11-5-6-14-27-23)28-24(30)17-19-7-1-2-8-19/h3-6,9-11,14,19-20,25H,1-2,7-8,12-13,15-18H2,(H,28,30).
What are the key properties of 2-cyclopentyl-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide?
2-cyclopentyl-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide has a molecular weight of 409.55 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide is sourced from PubChem (CID 110228657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).