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

C19H30FN5O — CID 119448078

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-piperazin-1-ylethyl)propanamide
SMILESCC(C(=O)NCCN1CCNCC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H30FN5O/c1-16(19(26)22-8-11-23-9-6-21-7-10-23)24-12-14-25(15-13-24)18-4-2-17(20)3-5-18/h2-5,16,21H,6-15H2,1H3,(H,22,26)
InChIKeyJRVAVPNTCKPIKN-UHFFFAOYSA-N
MW363.48 g/mol
LogP0.36
Rot. Bonds6

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

2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-piperazin-1-ylethyl)propanamide (PubChem CID 119448078) has the molecular formula C19H30FN5O and a molecular weight of 363.48 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-piperazin-1-ylethyl)propanamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-piperazin-1-ylethyl)propanamide
PubChem CID119448078
Molecular FormulaC19H30FN5O
Molecular Weight363.48 g/mol
Exact Mass363.24
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-piperazin-1-ylethyl)propanamide
SMILESCC(C(=O)NCCN1CCNCC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H30FN5O/c1-16(19(26)22-8-11-23-9-6-21-7-10-23)24-12-14-25(15-13-24)18-4-2-17(20)3-5-18/h2-5,16,21H,6-15H2,1H3,(H,22,26)
InChIKeyJRVAVPNTCKPIKN-UHFFFAOYSA-N
XLogP0.36
TPSA50.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 78698233
(2R)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-pyrrol-1-ylpropanamide
CID 97064291
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-methyl-3-(methylamino)propanamide;trihydrochloride
CID 119902213
N-(3-ethoxypropyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 134038228
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 8688217
N-(cyclohexylmethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 4880388
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-pyrrolidin-3-ylpropanamide
CID 119453015
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylethyl)propanamide
CID 119446966
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 8703867
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2,2-dimethylpropanamide
CID 42266574
N-[2-(dimethylamino)-2-phenylethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 134038231
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-piperazin-1-ylethyl)propanamide?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-piperazin-1-ylethyl)propanamide (CID 119448078) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-piperazin-1-ylethyl)propanamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-piperazin-1-ylethyl)propanamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-piperazin-1-ylethyl)propanamide is CC(C(=O)NCCN1CCNCC1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-piperazin-1-ylethyl)propanamide?
The InChIKey is JRVAVPNTCKPIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN5O/c1-16(19(26)22-8-11-23-9-6-21-7-10-23)24-12-14-25(15-13-24)18-4-2-17(20)3-5-18/h2-5,16,21H,6-15H2,1H3,(H,22,26).
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-piperazin-1-ylethyl)propanamide?
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-piperazin-1-ylethyl)propanamide has a molecular weight of 363.48 g/mol, XLogP of 0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-piperazin-1-ylethyl)propanamide is sourced from PubChem (CID 119448078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).