2-(2,4-difluorophenoxy)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide

C19H21F2N3O2 — CID 118778594

IUPAC2-(2,4-difluorophenoxy)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
SMILESO=C(COc1ccc(F)cc1F)NC1CCCN(Cc2cccnc2)C1
InChIInChI=1S/C19H21F2N3O2/c20-15-5-6-18(17(21)9-15)26-13-19(25)23-16-4-2-8-24(12-16)11-14-3-1-7-22-10-14/h1,3,5-7,9-10,16H,2,4,8,11-13H2,(H,23,25)
InChIKeyHKZMBHQNLJJXJU-UHFFFAOYSA-N
MW361.39 g/mol
LogP2.52
Rot. Bonds6

About 2-(2,4-difluorophenoxy)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide

2-(2,4-difluorophenoxy)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide (PubChem CID 118778594) has the molecular formula C19H21F2N3O2 and a molecular weight of 361.39 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
PubChem CID118778594
Molecular FormulaC19H21F2N3O2
Molecular Weight361.39 g/mol
Exact Mass361.16
IUPAC Name2-(2,4-difluorophenoxy)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
SMILESO=C(COc1ccc(F)cc1F)NC1CCCN(Cc2cccnc2)C1
InChIInChI=1S/C19H21F2N3O2/c20-15-5-6-18(17(21)9-15)26-13-19(25)23-16-4-2-8-24(12-16)11-14-3-1-7-22-10-14/h1,3,5-7,9-10,16H,2,4,8,11-13H2,(H,23,25)
InChIKeyHKZMBHQNLJJXJU-UHFFFAOYSA-N
XLogP2.52
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-difluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine-2-carboxamide
CID 91778553
N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 125155616
2-(2,4-dimethoxyphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 91831148
2-(2-methylphenyl)sulfanyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 124749391
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 125165036
2-(5-amino-3-methylpyrazol-1-yl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 124753575
2-chloro-6-fluoro-3-methyl-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]benzamide
CID 124758694
5-fluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine
CID 122558298
3-methyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 125440680
N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-4-(tetrazol-1-yl)butanamide
CID 125442193
N-(1-benzylpiperidin-4-yl)-2-(2-chloro-4-fluorophenoxy)acetamide
CID 17250306
N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazole-5-carboxamide
CID 125441300

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide?
The IUPAC name of 2-(2,4-difluorophenoxy)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide (CID 118778594) is 2-(2,4-difluorophenoxy)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-(2,4-difluorophenoxy)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide is O=C(COc1ccc(F)cc1F)NC1CCCN(Cc2cccnc2)C1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide?
The InChIKey is HKZMBHQNLJJXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O2/c20-15-5-6-18(17(21)9-15)26-13-19(25)23-16-4-2-8-24(12-16)11-14-3-1-7-22-10-14/h1,3,5-7,9-10,16H,2,4,8,11-13H2,(H,23,25).
What are the key properties of 2-(2,4-difluorophenoxy)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide?
2-(2,4-difluorophenoxy)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide has a molecular weight of 361.39 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 118778594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).