N-butyl-2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]acetamide

C18H26FN3O3 — CID 7328573

IUPACN-butyl-2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]acetamide
SMILESCCCCNC(=O)COCC(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H26FN3O3/c1-2-3-8-20-17(23)13-25-14-18(24)22-11-9-21(10-12-22)16-7-5-4-6-15(16)19/h4-7H,2-3,8-14H2,1H3,(H,20,23)
InChIKeySQHNELQEPOIESA-UHFFFAOYSA-N
MW351.42 g/mol
LogP1.41
Rot. Bonds8

About N-butyl-2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]acetamide

N-butyl-2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]acetamide (PubChem CID 7328573) has the molecular formula C18H26FN3O3 and a molecular weight of 351.42 g/mol. Its IUPAC name is N-butyl-2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]acetamide.

Molecular Properties

Compound NameN-butyl-2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]acetamide
PubChem CID7328573
Molecular FormulaC18H26FN3O3
Molecular Weight351.42 g/mol
Exact Mass351.20
IUPAC NameN-butyl-2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]acetamide
SMILESCCCCNC(=O)COCC(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H26FN3O3/c1-2-3-8-20-17(23)13-25-14-18(24)22-11-9-21(10-12-22)16-7-5-4-6-15(16)19/h4-7H,2-3,8-14H2,1H3,(H,20,23)
InChIKeySQHNELQEPOIESA-UHFFFAOYSA-N
XLogP1.41
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-[(2R)-heptan-2-yl]acetamide
CID 7328579
2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone
CID 7328592
2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-[(1R)-1-phenylethyl]acetamide
CID 41271013
N-(4-chlorophenyl)-2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]acetamide
CID 7328605
2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-(4-methoxyphenyl)acetamide
CID 7328598
1-[4-(2-fluorophenyl)piperazin-1-yl]heptan-1-one
CID 3309376
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 115950323
N-butyl-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152559
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenoxyethanone
CID 807242
4-(2-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 27534631
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[2-(hydroxymethyl)phenoxy]ethanone
CID 110891889
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)-3-oxopropanamide
CID 108941605

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]acetamide?
The IUPAC name of N-butyl-2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]acetamide (CID 7328573) is N-butyl-2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]acetamide.
What is the SMILES notation for N-butyl-2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]acetamide?
The canonical SMILES for N-butyl-2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]acetamide is CCCCNC(=O)COCC(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of N-butyl-2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]acetamide?
The InChIKey is SQHNELQEPOIESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O3/c1-2-3-8-20-17(23)13-25-14-18(24)22-11-9-21(10-12-22)16-7-5-4-6-15(16)19/h4-7H,2-3,8-14H2,1H3,(H,20,23).
What are the key properties of N-butyl-2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]acetamide?
N-butyl-2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]acetamide has a molecular weight of 351.42 g/mol, XLogP of 1.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]acetamide is sourced from PubChem (CID 7328573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).