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

C21H32FN3O3 — CID 7328579

IUPAC2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-[(2R)-heptan-2-yl]acetamide
SMILESCCCCC[C@@H](C)NC(=O)COCC(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H32FN3O3/c1-3-4-5-8-17(2)23-20(26)15-28-16-21(27)25-13-11-24(12-14-25)19-10-7-6-9-18(19)22/h6-7,9-10,17H,3-5,8,11-16H2,1-2H3,(H,23,26)/t17-/m1/s1
InChIKeyXFUAPFCRZPZMCN-QGZVFWFLSA-N
MW393.50 g/mol
LogP2.58
Rot. Bonds10

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

2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-[(2R)-heptan-2-yl]acetamide (PubChem CID 7328579) has the molecular formula C21H32FN3O3 and a molecular weight of 393.50 g/mol. Its IUPAC name is 2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-[(2R)-heptan-2-yl]acetamide.

Molecular Properties

Compound Name2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-[(2R)-heptan-2-yl]acetamide
PubChem CID7328579
Molecular FormulaC21H32FN3O3
Molecular Weight393.50 g/mol
Exact Mass393.24
IUPAC Name2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-[(2R)-heptan-2-yl]acetamide
SMILESCCCCC[C@@H](C)NC(=O)COCC(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H32FN3O3/c1-3-4-5-8-17(2)23-20(26)15-28-16-21(27)25-13-11-24(12-14-25)19-10-7-6-9-18(19)22/h6-7,9-10,17H,3-5,8,11-16H2,1-2H3,(H,23,26)/t17-/m1/s1
InChIKeyXFUAPFCRZPZMCN-QGZVFWFLSA-N
XLogP2.58
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.50
LogP ≤ 52.58
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

N-butyl-2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]acetamide
CID 7328573
2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-[(1R)-1-phenylethyl]acetamide
CID 41271013
2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone
CID 7328592
1-[4-(2-fluorophenyl)piperazin-1-yl]heptan-1-one
CID 3309376
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
N-butan-2-yl-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 4069653
N-butan-2-yl-4-(2-fluorophenyl)piperazine-1-carbothioamide
CID 23905679
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 115950323
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)-3-oxopropanamide
CID 108941605
2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-one
CID 60918849
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone
CID 1310661

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-[(2R)-heptan-2-yl]acetamide?
The IUPAC name of 2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-[(2R)-heptan-2-yl]acetamide (CID 7328579) is 2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-[(2R)-heptan-2-yl]acetamide.
What is the SMILES notation for 2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-[(2R)-heptan-2-yl]acetamide?
The canonical SMILES for 2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-[(2R)-heptan-2-yl]acetamide is CCCCC[C@@H](C)NC(=O)COCC(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-[(2R)-heptan-2-yl]acetamide?
The InChIKey is XFUAPFCRZPZMCN-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H32FN3O3/c1-3-4-5-8-17(2)23-20(26)15-28-16-21(27)25-13-11-24(12-14-25)19-10-7-6-9-18(19)22/h6-7,9-10,17H,3-5,8,11-16H2,1-2H3,(H,23,26)/t17-/m1/s1.
What are the key properties of 2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-[(2R)-heptan-2-yl]acetamide?
2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-[(2R)-heptan-2-yl]acetamide has a molecular weight of 393.50 g/mol, XLogP of 2.58, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-[(2R)-heptan-2-yl]acetamide is sourced from PubChem (CID 7328579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).