2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide

C18H22F3N3O2 — CID 165434146

IUPAC2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(CN1CCC(C(=O)N2CCC(F)(F)CC2)C1)Nc1ccc(F)cc1
InChIInChI=1S/C18H22F3N3O2/c19-14-1-3-15(4-2-14)22-16(25)12-23-8-5-13(11-23)17(26)24-9-6-18(20,21)7-10-24/h1-4,13H,5-12H2,(H,22,25)
InChIKeySFRXCLBFMAGOTR-UHFFFAOYSA-N
MW369.39 g/mol
LogP2.34
Rot. Bonds4

About 2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide

2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 165434146) has the molecular formula C18H22F3N3O2 and a molecular weight of 369.39 g/mol. Its IUPAC name is 2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID165434146
Molecular FormulaC18H22F3N3O2
Molecular Weight369.39 g/mol
Exact Mass369.17
IUPAC Name2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(CN1CCC(C(=O)N2CCC(F)(F)CC2)C1)Nc1ccc(F)cc1
InChIInChI=1S/C18H22F3N3O2/c19-14-1-3-15(4-2-14)22-16(25)12-23-8-5-13(11-23)17(26)24-9-6-18(20,21)7-10-24/h1-4,13H,5-12H2,(H,22,25)
InChIKeySFRXCLBFMAGOTR-UHFFFAOYSA-N
XLogP2.34
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-[3-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
CID 165434141
2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 165434132
N-(4-fluorophenyl)-2-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide
CID 16809605
2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-prop-2-enylacetamide
CID 165434079
N-(4-fluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 55130773
[1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 165432887
1-[2-(4-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134233
N-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60967333
2-[(3R)-3-aminopiperidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 102977214
2-(3-aminopiperidin-1-yl)-N-(4-fluorophenyl)acetamide
CID 61297951
N-[1-[2-(4-fluoroanilino)-2-oxoethyl]piperidin-4-yl]cyclobutanecarboxamide
CID 165434114
N-(4-ethoxyphenyl)-1-[2-(4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909487

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide (CID 165434146) is 2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide is O=C(CN1CCC(C(=O)N2CCC(F)(F)CC2)C1)Nc1ccc(F)cc1.
What is the InChIKey of 2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is SFRXCLBFMAGOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O2/c19-14-1-3-15(4-2-14)22-16(25)12-23-8-5-13(11-23)17(26)24-9-6-18(20,21)7-10-24/h1-4,13H,5-12H2,(H,22,25).
What are the key properties of 2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide?
2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 369.39 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 165434146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).