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

C23H31FN4O — CID 134038231

IUPACN-[2-(dimethylamino)-2-phenylethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)NCC(c1ccccc1)N(C)C)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H31FN4O/c1-18(23(29)25-17-22(26(2)3)19-7-5-4-6-8-19)27-13-15-28(16-14-27)21-11-9-20(24)10-12-21/h4-12,18,22H,13-17H2,1-3H3,(H,25,29)
InChIKeyTYHJSUWFCLORNG-UHFFFAOYSA-N
MW398.53 g/mol
LogP2.76
Rot. Bonds7

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

N-[2-(dimethylamino)-2-phenylethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide (PubChem CID 134038231) has the molecular formula C23H31FN4O and a molecular weight of 398.53 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-phenylethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-phenylethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
PubChem CID134038231
Molecular FormulaC23H31FN4O
Molecular Weight398.53 g/mol
Exact Mass398.25
IUPAC NameN-[2-(dimethylamino)-2-phenylethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)NCC(c1ccccc1)N(C)C)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H31FN4O/c1-18(23(29)25-17-22(26(2)3)19-7-5-4-6-8-19)27-13-15-28(16-14-27)21-11-9-20(24)10-12-21/h4-12,18,22H,13-17H2,1-3H3,(H,25,29)
InChIKeyTYHJSUWFCLORNG-UHFFFAOYSA-N
XLogP2.76
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 40792883
N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 78698233
2-[2-[4-(4-fluorophenyl)piperazin-1-yl]propanoylamino]-2-phenylacetic acid
CID 154743598
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 8688217
(2R)-N-[(1S)-1-phenylethyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 40940116
N-(cyclohexylmethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 4880388
(2R)-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]propanoylamino]-3-phenylpropanoic acid
CID 119367437
N-(2-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 46673136
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-piperazin-1-ylethyl)propanamide
CID 119448078
N-(3-ethoxypropyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 134038228
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 8703867
(2S)-2-(4-benzhydrylpiperazin-1-yl)-N-(2-methylpropyl)propanamide
CID 9275099

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide (CID 134038231) is N-[2-(dimethylamino)-2-phenylethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-phenylethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-phenylethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide is CC(C(=O)NCC(c1ccccc1)N(C)C)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[2-(dimethylamino)-2-phenylethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
The InChIKey is TYHJSUWFCLORNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN4O/c1-18(23(29)25-17-22(26(2)3)19-7-5-4-6-8-19)27-13-15-28(16-14-27)21-11-9-20(24)10-12-21/h4-12,18,22H,13-17H2,1-3H3,(H,25,29).
What are the key properties of N-[2-(dimethylamino)-2-phenylethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
N-[2-(dimethylamino)-2-phenylethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide has a molecular weight of 398.53 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-phenylethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 134038231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).