N-cycloheptyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide

C21H30FN3O2 — CID 113166319

IUPACN-cycloheptyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)N(CC(=O)N1CCN(c2ccccc2F)CC1)C1CCCCCC1
InChIInChI=1S/C21H30FN3O2/c1-17(26)25(18-8-4-2-3-5-9-18)16-21(27)24-14-12-23(13-15-24)20-11-7-6-10-19(20)22/h6-7,10-11,18H,2-5,8-9,12-16H2,1H3
InChIKeyUKUBPSOJLCKSFD-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.05
Rot. Bonds4

About N-cycloheptyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide

N-cycloheptyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide (PubChem CID 113166319) has the molecular formula C21H30FN3O2 and a molecular weight of 375.49 g/mol. Its IUPAC name is N-cycloheptyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
PubChem CID113166319
Molecular FormulaC21H30FN3O2
Molecular Weight375.49 g/mol
Exact Mass375.23
IUPAC NameN-cycloheptyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)N(CC(=O)N1CCN(c2ccccc2F)CC1)C1CCCCCC1
InChIInChI=1S/C21H30FN3O2/c1-17(26)25(18-8-4-2-3-5-9-18)16-21(27)24-14-12-23(13-15-24)20-11-7-6-10-19(20)22/h6-7,10-11,18H,2-5,8-9,12-16H2,1H3
InChIKeyUKUBPSOJLCKSFD-UHFFFAOYSA-N
XLogP3.05
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113158364
N-cyclopentyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113159270
2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 51224502
N-cyclohexyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113159467
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(4-methylphenyl)acetamide
CID 113167717
N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexylacetamide
CID 113159492
2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 34968318
3-(cycloheptylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109029809
N-(2,3-dimethylphenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113168884
2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-methylamino]propanoic acid
CID 119912513
2-(4-cyclohexylpiperazine-1,4-diium-1-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 7417741
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(pyridin-2-ylmethyl)acetamide
CID 113163416

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-cycloheptyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide (CID 113166319) is N-cycloheptyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-cycloheptyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-cycloheptyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide is CC(=O)N(CC(=O)N1CCN(c2ccccc2F)CC1)C1CCCCCC1.
What is the InChIKey of N-cycloheptyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is UKUBPSOJLCKSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN3O2/c1-17(26)25(18-8-4-2-3-5-9-18)16-21(27)24-14-12-23(13-15-24)20-11-7-6-10-19(20)22/h6-7,10-11,18H,2-5,8-9,12-16H2,1H3.
What are the key properties of N-cycloheptyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
N-cycloheptyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 375.49 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 113166319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).