2-[[2-[3-(acetamidomethyl)piperidin-1-yl]acetyl]amino]-N-(3,4-difluorophenyl)acetamide

C18H24F2N4O3 — CID 86854742

IUPAC2-[[2-[3-(acetamidomethyl)piperidin-1-yl]acetyl]amino]-N-(3,4-difluorophenyl)acetamide
SMILESCC(=O)NCC1CCCN(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C1
InChIInChI=1S/C18H24F2N4O3/c1-12(25)21-8-13-3-2-6-24(10-13)11-18(27)22-9-17(26)23-14-4-5-15(19)16(20)7-14/h4-5,7,13H,2-3,6,8-11H2,1H3,(H,21,25)(H,22,27)(H,23,26)
InChIKeyFUWJYSZVFALKGH-UHFFFAOYSA-N
MW382.41 g/mol
LogP0.87
Rot. Bonds7

About 2-[[2-[3-(acetamidomethyl)piperidin-1-yl]acetyl]amino]-N-(3,4-difluorophenyl)acetamide

2-[[2-[3-(acetamidomethyl)piperidin-1-yl]acetyl]amino]-N-(3,4-difluorophenyl)acetamide (PubChem CID 86854742) has the molecular formula C18H24F2N4O3 and a molecular weight of 382.41 g/mol. Its IUPAC name is 2-[[2-[3-(acetamidomethyl)piperidin-1-yl]acetyl]amino]-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[3-(acetamidomethyl)piperidin-1-yl]acetyl]amino]-N-(3,4-difluorophenyl)acetamide
PubChem CID86854742
Molecular FormulaC18H24F2N4O3
Molecular Weight382.41 g/mol
Exact Mass382.18
IUPAC Name2-[[2-[3-(acetamidomethyl)piperidin-1-yl]acetyl]amino]-N-(3,4-difluorophenyl)acetamide
SMILESCC(=O)NCC1CCCN(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C1
InChIInChI=1S/C18H24F2N4O3/c1-12(25)21-8-13-3-2-6-24(10-13)11-18(27)22-9-17(26)23-14-4-5-15(19)16(20)7-14/h4-5,7,13H,2-3,6,8-11H2,1H3,(H,21,25)(H,22,27)(H,23,26)
InChIKeyFUWJYSZVFALKGH-UHFFFAOYSA-N
XLogP0.87
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119914369
1-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
CID 42926368
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3,4-difluorophenyl)acetamide;hydrochloride
CID 120728308
N-(3-chloro-4-fluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119914724
N-(3,4-difluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972309
2-[3-(acetamidomethyl)piperidin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide
CID 86854756
N-(3-chloro-4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60642472
N-(3,4-difluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 3145276
N-(3-amino-4-fluorophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 107227198
2-[[2-[4-(diethylsulfamoyl)piperazin-1-yl]acetyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 16597959
2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 18087279
2-[3-(ethylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 63848456

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-(acetamidomethyl)piperidin-1-yl]acetyl]amino]-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-[[2-[3-(acetamidomethyl)piperidin-1-yl]acetyl]amino]-N-(3,4-difluorophenyl)acetamide (CID 86854742) is 2-[[2-[3-(acetamidomethyl)piperidin-1-yl]acetyl]amino]-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-[3-(acetamidomethyl)piperidin-1-yl]acetyl]amino]-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[[2-[3-(acetamidomethyl)piperidin-1-yl]acetyl]amino]-N-(3,4-difluorophenyl)acetamide is CC(=O)NCC1CCCN(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C1.
What is the InChIKey of 2-[[2-[3-(acetamidomethyl)piperidin-1-yl]acetyl]amino]-N-(3,4-difluorophenyl)acetamide?
The InChIKey is FUWJYSZVFALKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N4O3/c1-12(25)21-8-13-3-2-6-24(10-13)11-18(27)22-9-17(26)23-14-4-5-15(19)16(20)7-14/h4-5,7,13H,2-3,6,8-11H2,1H3,(H,21,25)(H,22,27)(H,23,26).
What are the key properties of 2-[[2-[3-(acetamidomethyl)piperidin-1-yl]acetyl]amino]-N-(3,4-difluorophenyl)acetamide?
2-[[2-[3-(acetamidomethyl)piperidin-1-yl]acetyl]amino]-N-(3,4-difluorophenyl)acetamide has a molecular weight of 382.41 g/mol, XLogP of 0.87, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-(acetamidomethyl)piperidin-1-yl]acetyl]amino]-N-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 86854742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).