3-amino-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]butanamide;dihydrochloride

C17H27Cl2FN4O2 — CID 119858817

IUPAC3-amino-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]butanamide;dihydrochloride
SMILESCC(N)CC(=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1.Cl.Cl
InChIInChI=1S/C17H25FN4O2.2ClH/c1-13(19)12-16(23)20-7-6-17(24)22-10-8-21(9-11-22)15-4-2-14(18)3-5-15;;/h2-5,13H,6-12,19H2,1H3,(H,20,23);2*1H
InChIKeyGXNRWQIWJAUXOE-UHFFFAOYSA-N
MW409.33 g/mol
LogP1.56
Rot. Bonds6

About 3-amino-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]butanamide;dihydrochloride

3-amino-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]butanamide;dihydrochloride (PubChem CID 119858817) has the molecular formula C17H27Cl2FN4O2 and a molecular weight of 409.33 g/mol. Its IUPAC name is 3-amino-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]butanamide;dihydrochloride
PubChem CID119858817
Molecular FormulaC17H27Cl2FN4O2
Molecular Weight409.33 g/mol
Exact Mass408.15
IUPAC Name3-amino-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]butanamide;dihydrochloride
SMILESCC(N)CC(=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1.Cl.Cl
InChIInChI=1S/C17H25FN4O2.2ClH/c1-13(19)12-16(23)20-7-6-17(24)22-10-8-21(9-11-22)15-4-2-14(18)3-5-15;;/h2-5,13H,6-12,19H2,1H3,(H,20,23);2*1H
InChIKeyGXNRWQIWJAUXOE-UHFFFAOYSA-N
XLogP1.56
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.33
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3,3-dimethylbutanamide
CID 119858800
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-4-(methylamino)butanamide
CID 119858786
3-(ethylamino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 62832473
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea
CID 9081569
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-methylbenzamide
CID 8967289
(2R)-2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119827512
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-(4-fluorophenyl)-4-methylpentanamide
CID 110354080
1-butyl-3-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-methylguanidine
CID 111149984
1-[(4-fluorophenyl)methyl]-3-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-methylguanidine
CID 111231401
1-butyl-3-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-methylguanidine;hydroiodide
CID 111149983
4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pentanamide;dihydrochloride
CID 120565211
3-(4-acetylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109027275

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]butanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]butanamide;dihydrochloride (CID 119858817) is 3-amino-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]butanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]butanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]butanamide;dihydrochloride is CC(N)CC(=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1.Cl.Cl.
What is the InChIKey of 3-amino-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]butanamide;dihydrochloride?
The InChIKey is GXNRWQIWJAUXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN4O2.2ClH/c1-13(19)12-16(23)20-7-6-17(24)22-10-8-21(9-11-22)15-4-2-14(18)3-5-15;;/h2-5,13H,6-12,19H2,1H3,(H,20,23);2*1H.
What are the key properties of 3-amino-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]butanamide;dihydrochloride?
3-amino-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]butanamide;dihydrochloride has a molecular weight of 409.33 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]butanamide;dihydrochloride is sourced from PubChem (CID 119858817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).