2-[4-[2-(cyclooctylamino)acetyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide

C22H33FN4O2 — CID 8558855

IUPAC2-[4-[2-(cyclooctylamino)acetyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide
SMILESO=C(CN1CCN(C(=O)CNC2CCCCCCC2)CC1)Nc1cccc(F)c1
InChIInChI=1S/C22H33FN4O2/c23-18-7-6-10-20(15-18)25-21(28)17-26-11-13-27(14-12-26)22(29)16-24-19-8-4-2-1-3-5-9-19/h6-7,10,15,19,24H,1-5,8-9,11-14,16-17H2,(H,25,28)
InChIKeyVIBCNOVNLMNXDH-UHFFFAOYSA-N
MW404.53 g/mol
LogP2.61
Rot. Bonds6

About 2-[4-[2-(cyclooctylamino)acetyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide

2-[4-[2-(cyclooctylamino)acetyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide (PubChem CID 8558855) has the molecular formula C22H33FN4O2 and a molecular weight of 404.53 g/mol. Its IUPAC name is 2-[4-[2-(cyclooctylamino)acetyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(cyclooctylamino)acetyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide
PubChem CID8558855
Molecular FormulaC22H33FN4O2
Molecular Weight404.53 g/mol
Exact Mass404.26
IUPAC Name2-[4-[2-(cyclooctylamino)acetyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide
SMILESO=C(CN1CCN(C(=O)CNC2CCCCCCC2)CC1)Nc1cccc(F)c1
InChIInChI=1S/C22H33FN4O2/c23-18-7-6-10-20(15-18)25-21(28)17-26-11-13-27(14-12-26)22(29)16-24-19-8-4-2-1-3-5-9-19/h6-7,10,15,19,24H,1-5,8-9,11-14,16-17H2,(H,25,28)
InChIKeyVIBCNOVNLMNXDH-UHFFFAOYSA-N
XLogP2.61
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide
CID 9020209
2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 9020123
N-(3-fluorophenyl)-2-[4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 8558075
N-(3-fluorophenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide
CID 9020103
N-(3-fluorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 27855792
N-(3-fluorophenyl)-2-[4-[2-(2-oxopyrrolidin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 9225293
4-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 17397265
N-(3-fluorophenyl)-2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]acetamide
CID 9020277
ethyl 4-[2-(3-fluoroanilino)-2-oxoethyl]piperazine-1-carboxylate
CID 2654273
N-(3-fluorophenyl)-2-[4-(4-phenoxybutanoyl)piperazin-1-yl]acetamide
CID 9020203
N-(3-fluorophenyl)-2-[4-[2-(2-methylphenyl)sulfanylacetyl]piperazin-1-yl]acetamide
CID 9020255
2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 8711203

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(cyclooctylamino)acetyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[4-[2-(cyclooctylamino)acetyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide (CID 8558855) is 2-[4-[2-(cyclooctylamino)acetyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-[2-(cyclooctylamino)acetyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-[2-(cyclooctylamino)acetyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide is O=C(CN1CCN(C(=O)CNC2CCCCCCC2)CC1)Nc1cccc(F)c1.
What is the InChIKey of 2-[4-[2-(cyclooctylamino)acetyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide?
The InChIKey is VIBCNOVNLMNXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33FN4O2/c23-18-7-6-10-20(15-18)25-21(28)17-26-11-13-27(14-12-26)22(29)16-24-19-8-4-2-1-3-5-9-19/h6-7,10,15,19,24H,1-5,8-9,11-14,16-17H2,(H,25,28).
What are the key properties of 2-[4-[2-(cyclooctylamino)acetyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide?
2-[4-[2-(cyclooctylamino)acetyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide has a molecular weight of 404.53 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(cyclooctylamino)acetyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 8558855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).