2-[(2R)-1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylacetamide

C23H23F3N4O2 — CID 42195163

IUPAC2-[(2R)-1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylacetamide
SMILESCN(Cc1cc2cc(F)ccc2[nH]1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1F
InChIInChI=1S/C23H23F3N4O2/c1-29(13-17-10-15-9-16(24)5-6-19(15)28-17)21(31)11-20-23(32)27-7-8-30(20)12-14-3-2-4-18(25)22(14)26/h2-6,9-10,20,28H,7-8,11-13H2,1H3,(H,27,32)/t20-/m1/s1
InChIKeyBVEZTHXNZSSIEE-HXUWFJFHSA-N
MW444.46 g/mol
LogP2.93
Rot. Bonds6

About 2-[(2R)-1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylacetamide

2-[(2R)-1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylacetamide (PubChem CID 42195163) has the molecular formula C23H23F3N4O2 and a molecular weight of 444.46 g/mol. Its IUPAC name is 2-[(2R)-1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2R)-1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylacetamide
PubChem CID42195163
Molecular FormulaC23H23F3N4O2
Molecular Weight444.46 g/mol
Exact Mass444.18
IUPAC Name2-[(2R)-1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylacetamide
SMILESCN(Cc1cc2cc(F)ccc2[nH]1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1F
InChIInChI=1S/C23H23F3N4O2/c1-29(13-17-10-15-9-16(24)5-6-19(15)28-17)21(31)11-20-23(32)27-7-8-30(20)12-14-3-2-4-18(25)22(14)26/h2-6,9-10,20,28H,7-8,11-13H2,1H3,(H,27,32)/t20-/m1/s1
InChIKeyBVEZTHXNZSSIEE-HXUWFJFHSA-N
XLogP2.93
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.46
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-adamantylmethyl)-2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
CID 45251828
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
CID 45224119
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
N-butyl-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
CID 45230540
2-[1-[(2-chloro-4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 45169642
2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 45172728
2-[(2S)-1-[(2-chloro-4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-morpholin-4-ylethyl)acetamide
CID 28953869
methyl 2-[[2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetyl]-methylamino]acetate
CID 45242481
2-[1-[(3,4-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 45171249
N-[2-(diethylamino)ethyl]-2-[(2R)-1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 51901313
N-cyclobutyl-2-[(2S)-1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95713622

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-[(2R)-1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylacetamide (CID 42195163) is 2-[(2R)-1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[(2R)-1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[(2R)-1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylacetamide is CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1F.
What is the InChIKey of 2-[(2R)-1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylacetamide?
The InChIKey is BVEZTHXNZSSIEE-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H23F3N4O2/c1-29(13-17-10-15-9-16(24)5-6-19(15)28-17)21(31)11-20-23(32)27-7-8-30(20)12-14-3-2-4-18(25)22(14)26/h2-6,9-10,20,28H,7-8,11-13H2,1H3,(H,27,32)/t20-/m1/s1.
What are the key properties of 2-[(2R)-1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylacetamide?
2-[(2R)-1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylacetamide has a molecular weight of 444.46 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 42195163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).