N-cyclopentyl-2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide

C18H23F2N3O2 — CID 45246216

IUPACN-cyclopentyl-2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
SMILESO=C(CC1C(=O)NCCN1Cc1cccc(F)c1F)NC1CCCC1
InChIInChI=1S/C18H23F2N3O2/c19-14-7-3-4-12(17(14)20)11-23-9-8-21-18(25)15(23)10-16(24)22-13-5-1-2-6-13/h3-4,7,13,15H,1-2,5-6,8-11H2,(H,21,25)(H,22,24)
InChIKeyGYIYFPIKSYLRDP-UHFFFAOYSA-N
MW351.40 g/mol
LogP1.71
Rot. Bonds5

About N-cyclopentyl-2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide

N-cyclopentyl-2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide (PubChem CID 45246216) has the molecular formula C18H23F2N3O2 and a molecular weight of 351.40 g/mol. Its IUPAC name is N-cyclopentyl-2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
PubChem CID45246216
Molecular FormulaC18H23F2N3O2
Molecular Weight351.40 g/mol
Exact Mass351.18
IUPAC NameN-cyclopentyl-2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
SMILESO=C(CC1C(=O)NCCN1Cc1cccc(F)c1F)NC1CCCC1
InChIInChI=1S/C18H23F2N3O2/c19-14-7-3-4-12(17(14)20)11-23-9-8-21-18(25)15(23)10-16(24)22-13-5-1-2-6-13/h3-4,7,13,15H,1-2,5-6,8-11H2,(H,21,25)(H,22,24)
InChIKeyGYIYFPIKSYLRDP-UHFFFAOYSA-N
XLogP1.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclobutyl-2-[(2S)-1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95713622
2-[(2R)-1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-cycloheptylacetamide
CID 42381747
N-cyclooctyl-2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 24819460
N-(3-cyclopentylpropyl)-2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 24819391
N-cyclooctyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 24792111
N-(2-amino-2-oxoethyl)-2-[(2R)-1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95723179
4-[(2,3-difluorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 56911735
(3S)-4-[(2,3-difluorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 95726510
2-[1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-cyclopropylacetamide
CID 56885861
2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]acetamide
CID 45243990
2-[(2R)-1-[(4-chloro-3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-cyclobutylacetamide
CID 42594440
N-[2-(diethylamino)ethyl]-2-[(2R)-1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 51901313

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide (CID 45246216) is N-cyclopentyl-2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide is O=C(CC1C(=O)NCCN1Cc1cccc(F)c1F)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The InChIKey is GYIYFPIKSYLRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3O2/c19-14-7-3-4-12(17(14)20)11-23-9-8-21-18(25)15(23)10-16(24)22-13-5-1-2-6-13/h3-4,7,13,15H,1-2,5-6,8-11H2,(H,21,25)(H,22,24).
What are the key properties of N-cyclopentyl-2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
N-cyclopentyl-2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide has a molecular weight of 351.40 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 45246216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).