N-(3-fluorophenyl)-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propanamide;dihydrochloride

C18H27Cl2FN4O2 — CID 119857286

IUPACN-(3-fluorophenyl)-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propanamide;dihydrochloride
SMILESCC(C(=O)Nc1cccc(F)c1)N1CCN(C(=O)C2CCNC2)CC1.Cl.Cl
InChIInChI=1S/C18H25FN4O2.2ClH/c1-13(17(24)21-16-4-2-3-15(19)11-16)22-7-9-23(10-8-22)18(25)14-5-6-20-12-14;;/h2-4,11,13-14,20H,5-10,12H2,1H3,(H,21,24);2*1H
InChIKeyQIGKHFGFXPAMGJ-UHFFFAOYSA-N
MW421.34 g/mol
LogP1.75
Rot. Bonds4

About N-(3-fluorophenyl)-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propanamide;dihydrochloride

N-(3-fluorophenyl)-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propanamide;dihydrochloride (PubChem CID 119857286) has the molecular formula C18H27Cl2FN4O2 and a molecular weight of 421.34 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propanamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propanamide;dihydrochloride
PubChem CID119857286
Molecular FormulaC18H27Cl2FN4O2
Molecular Weight421.34 g/mol
Exact Mass420.15
IUPAC NameN-(3-fluorophenyl)-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propanamide;dihydrochloride
SMILESCC(C(=O)Nc1cccc(F)c1)N1CCN(C(=O)C2CCNC2)CC1.Cl.Cl
InChIInChI=1S/C18H25FN4O2.2ClH/c1-13(17(24)21-16-4-2-3-15(19)11-16)22-7-9-23(10-8-22)18(25)14-5-6-20-12-14;;/h2-4,11,13-14,20H,5-10,12H2,1H3,(H,21,24);2*1H
InChIKeyQIGKHFGFXPAMGJ-UHFFFAOYSA-N
XLogP1.75
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.34
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[4-[1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 46681642
(2S)-N-(3-fluorophenyl)-2-piperazin-1-ylpropanamide
CID 28507016
N-(3-fluorophenyl)-2-[4-(morpholine-3-carbonyl)piperazin-1-yl]propanamide;dihydrochloride
CID 119857240
2-(azepan-1-yl)-N-(3-fluorophenyl)propanamide
CID 46630888
(2S)-2-(azepan-1-yl)-N-(3-fluorophenyl)propanamide
CID 9249876
2-[4-(2-aminoacetyl)piperazin-1-yl]-N-(3-fluorophenyl)propanamide;dihydrochloride
CID 119857266
1-[1-(3-fluoroanilino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904283
2-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 119857243
2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide;dihydrochloride
CID 119857258
(2S)-N-(3-fluorophenyl)-2-[4-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]piperazin-1-yl]propanamide
CID 97067672
N-cyclopropyl-2-[4-(piperidine-4-carbonyl)piperazin-1-yl]propanamide;dihydrochloride
CID 119839032
2-methylpropyl 4-[1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 60555488

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propanamide;dihydrochloride?
The IUPAC name of N-(3-fluorophenyl)-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propanamide;dihydrochloride (CID 119857286) is N-(3-fluorophenyl)-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propanamide;dihydrochloride.
What is the SMILES notation for N-(3-fluorophenyl)-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propanamide;dihydrochloride?
The canonical SMILES for N-(3-fluorophenyl)-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propanamide;dihydrochloride is CC(C(=O)Nc1cccc(F)c1)N1CCN(C(=O)C2CCNC2)CC1.Cl.Cl.
What is the InChIKey of N-(3-fluorophenyl)-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propanamide;dihydrochloride?
The InChIKey is QIGKHFGFXPAMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O2.2ClH/c1-13(17(24)21-16-4-2-3-15(19)11-16)22-7-9-23(10-8-22)18(25)14-5-6-20-12-14;;/h2-4,11,13-14,20H,5-10,12H2,1H3,(H,21,24);2*1H.
What are the key properties of N-(3-fluorophenyl)-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propanamide;dihydrochloride?
N-(3-fluorophenyl)-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propanamide;dihydrochloride has a molecular weight of 421.34 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propanamide;dihydrochloride is sourced from PubChem (CID 119857286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).