N-(cyclohexylmethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide

C20H30FN3O — CID 4880388

IUPACN-(cyclohexylmethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)NCC1CCCCC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H30FN3O/c1-16(20(25)22-15-17-5-3-2-4-6-17)23-11-13-24(14-12-23)19-9-7-18(21)8-10-19/h7-10,16-17H,2-6,11-15H2,1H3,(H,22,25)
InChIKeyFNCZNBQXBYGSDZ-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.03
Rot. Bonds5

About N-(cyclohexylmethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide

N-(cyclohexylmethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide (PubChem CID 4880388) has the molecular formula C20H30FN3O and a molecular weight of 347.48 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
PubChem CID4880388
Molecular FormulaC20H30FN3O
Molecular Weight347.48 g/mol
Exact Mass347.24
IUPAC NameN-(cyclohexylmethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)NCC1CCCCC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H30FN3O/c1-16(20(25)22-15-17-5-3-2-4-6-17)23-11-13-24(14-12-23)19-9-7-18(21)8-10-19/h7-10,16-17H,2-6,11-15H2,1H3,(H,22,25)
InChIKeyFNCZNBQXBYGSDZ-UHFFFAOYSA-N
XLogP3.03
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(cyclopropylmethyl)propanamide
CID 92987652
N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 78698233
N-(3-ethoxypropyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 134038228
N-(cyclohexylmethyl)-2-(4-hydroxypiperidin-1-yl)propanamide
CID 110877674
(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]propanamide
CID 8703916
N-(cyclohexylcarbamoyl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propanamide
CID 87019512
N-(cyclohexylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 4030737
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-pyrrolidin-3-ylpropanamide
CID 119453015
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-piperazin-1-ylethyl)propanamide
CID 119448078
1-(2-ethylpiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 134062684
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 8688217
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 8703867

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide (CID 4880388) is N-(cyclohexylmethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide is CC(C(=O)NCC1CCCCC1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
The InChIKey is FNCZNBQXBYGSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN3O/c1-16(20(25)22-15-17-5-3-2-4-6-17)23-11-13-24(14-12-23)19-9-7-18(21)8-10-19/h7-10,16-17H,2-6,11-15H2,1H3,(H,22,25).
What are the key properties of N-(cyclohexylmethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
N-(cyclohexylmethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide has a molecular weight of 347.48 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 4880388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).