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

C19H26FN3O2 — CID 86850419

IUPAC2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESO=C(CN1CCN(C(=O)C2CCCCC2)CC1)Nc1ccccc1F
InChIInChI=1S/C19H26FN3O2/c20-16-8-4-5-9-17(16)21-18(24)14-22-10-12-23(13-11-22)19(25)15-6-2-1-3-7-15/h4-5,8-9,15H,1-3,6-7,10-14H2,(H,21,24)
InChIKeyIPOPLCDPEXWDGK-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.49
Rot. Bonds4

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

2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 86850419) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is 2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
PubChem CID86850419
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESO=C(CN1CCN(C(=O)C2CCCCC2)CC1)Nc1ccccc1F
InChIInChI=1S/C19H26FN3O2/c20-16-8-4-5-9-17(16)21-18(24)14-22-10-12-23(13-11-22)19(25)15-6-2-1-3-7-15/h4-5,8-9,15H,1-3,6-7,10-14H2,(H,21,24)
InChIKeyIPOPLCDPEXWDGK-UHFFFAOYSA-N
XLogP2.49
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(cyclopentanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 36881302
3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 31932591
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2,4-difluorophenyl)acetamide
CID 17490744
N-cyclopropyl-2-[4-[2-(2-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoacetamide
CID 78881404
2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 3238032
2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 15999180
N-(2-fluorophenyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146012
(3S)-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305796
N-(2-fluorophenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide
CID 54923773
2-[4-[(3S)-1-acetylpiperidine-3-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 9372273
2-[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 9368491
2-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 9022433

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide (CID 86850419) is 2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide is O=C(CN1CCN(C(=O)C2CCCCC2)CC1)Nc1ccccc1F.
What is the InChIKey of 2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is IPOPLCDPEXWDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c20-16-8-4-5-9-17(16)21-18(24)14-22-10-12-23(13-11-22)19(25)15-6-2-1-3-7-15/h4-5,8-9,15H,1-3,6-7,10-14H2,(H,21,24).
What are the key properties of 2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide?
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 347.43 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 86850419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).