N-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide

C14H18F2N2O — CID 8903638

IUPACN-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
SMILESC[C@H]1CCCN(CC(=O)Nc2cc(F)ccc2F)C1
InChIInChI=1S/C14H18F2N2O/c1-10-3-2-6-18(8-10)9-14(19)17-13-7-11(15)4-5-12(13)16/h4-5,7,10H,2-3,6,8-9H2,1H3,(H,17,19)/t10-/m0/s1
InChIKeyJJNBIVGIPGQULH-JTQLQIEISA-N
MW268.31 g/mol
LogP2.64
Rot. Bonds3

About N-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide

N-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide (PubChem CID 8903638) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
PubChem CID8903638
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
SMILESC[C@H]1CCCN(CC(=O)Nc2cc(F)ccc2F)C1
InChIInChI=1S/C14H18F2N2O/c1-10-3-2-6-18(8-10)9-14(19)17-13-7-11(15)4-5-12(13)16/h4-5,7,10H,2-3,6,8-9H2,1H3,(H,17,19)/t10-/m0/s1
InChIKeyJJNBIVGIPGQULH-JTQLQIEISA-N
XLogP2.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 4824448
N-(5-fluoro-2-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 51454328
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(2,5-difluorophenyl)acetamide;hydrochloride
CID 119933718
N-(2,5-difluorophenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63267293
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,5-difluorophenyl)acetamide;hydrochloride
CID 119917859
N-(5-chloro-2-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 2681972
N-(2,5-difluorophenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 16554820
N-(2,5-difluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928417
N-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 46630906
N-(2,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 17282582
2-[[2-(3-methylpiperidin-1-yl)acetyl]amino]benzamide
CID 22197772
N-(2,5-difluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 60642566

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide (CID 8903638) is N-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide is C[C@H]1CCCN(CC(=O)Nc2cc(F)ccc2F)C1.
What is the InChIKey of N-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide?
The InChIKey is JJNBIVGIPGQULH-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-10-3-2-6-18(8-10)9-14(19)17-13-7-11(15)4-5-12(13)16/h4-5,7,10H,2-3,6,8-9H2,1H3,(H,17,19)/t10-/m0/s1.
What are the key properties of N-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide?
N-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide has a molecular weight of 268.31 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide is sourced from PubChem (CID 8903638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).