N-(2-acetamidoethyl)-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide

C17H23FN4O3 — CID 56903638

IUPACN-(2-acetamidoethyl)-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
SMILESCC(=O)NCCNC(=O)CC1C(=O)NCCN1Cc1ccccc1F
InChIInChI=1S/C17H23FN4O3/c1-12(23)19-6-7-20-16(24)10-15-17(25)21-8-9-22(15)11-13-4-2-3-5-14(13)18/h2-5,15H,6-11H2,1H3,(H,19,23)(H,20,24)(H,21,25)
InChIKeyMJCJWTCGZITGPA-UHFFFAOYSA-N
MW350.39 g/mol
LogP-0.23
Rot. Bonds7

About N-(2-acetamidoethyl)-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide

N-(2-acetamidoethyl)-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide (PubChem CID 56903638) has the molecular formula C17H23FN4O3 and a molecular weight of 350.39 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
PubChem CID56903638
Molecular FormulaC17H23FN4O3
Molecular Weight350.39 g/mol
Exact Mass350.18
IUPAC NameN-(2-acetamidoethyl)-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
SMILESCC(=O)NCCNC(=O)CC1C(=O)NCCN1Cc1ccccc1F
InChIInChI=1S/C17H23FN4O3/c1-12(23)19-6-7-20-16(24)10-15-17(25)21-8-9-22(15)11-13-4-2-3-5-14(13)18/h2-5,15H,6-11H2,1H3,(H,19,23)(H,20,24)(H,21,25)
InChIKeyMJCJWTCGZITGPA-UHFFFAOYSA-N
XLogP-0.23
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 45198435
N-[(4-chlorophenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 45209913
2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide
CID 95715258
N-[2-(diethylamino)ethyl]-2-[(2R)-1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 51901313
ethyl 2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 2997439
2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]acetamide
CID 42198652
2-[(2S)-1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 42193728
N-(2-amino-2-oxoethyl)-2-[(2R)-1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95723179
N-(3-cyclopentylpropyl)-2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 24819391
2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide
CID 56899622
methyl 2-[[2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetyl]-methylamino]acetate
CID 45242481
N-(3-methoxypropyl)-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 45212622

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-(2-acetamidoethyl)-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide (CID 56903638) is N-(2-acetamidoethyl)-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide is CC(=O)NCCNC(=O)CC1C(=O)NCCN1Cc1ccccc1F.
What is the InChIKey of N-(2-acetamidoethyl)-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The InChIKey is MJCJWTCGZITGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O3/c1-12(23)19-6-7-20-16(24)10-15-17(25)21-8-9-22(15)11-13-4-2-3-5-14(13)18/h2-5,15H,6-11H2,1H3,(H,19,23)(H,20,24)(H,21,25).
What are the key properties of N-(2-acetamidoethyl)-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
N-(2-acetamidoethyl)-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide has a molecular weight of 350.39 g/mol, XLogP of -0.23, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 56903638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).