1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N,N-dimethylpyrrolidine-2-carboxamide

C20H29FN4O2 — CID 75806353

IUPAC1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1CCC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H29FN4O2/c1-22(2)20(27)18-4-3-10-24(18)11-9-19(26)25-14-12-23(13-15-25)17-7-5-16(21)6-8-17/h5-8,18H,3-4,9-15H2,1-2H3
InChIKeyXCUDXLWHHPPAHC-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.42
Rot. Bonds5

About 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N,N-dimethylpyrrolidine-2-carboxamide

1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 75806353) has the molecular formula C20H29FN4O2 and a molecular weight of 376.48 g/mol. Its IUPAC name is 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID75806353
Molecular FormulaC20H29FN4O2
Molecular Weight376.48 g/mol
Exact Mass376.23
IUPAC Name1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1CCC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H29FN4O2/c1-22(2)20(27)18-4-3-10-24(18)11-9-19(26)25-14-12-23(13-15-25)17-7-5-16(21)6-8-17/h5-8,18H,3-4,9-15H2,1-2H3
InChIKeyXCUDXLWHHPPAHC-UHFFFAOYSA-N
XLogP1.42
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrrolidine-2-carboxamide
CID 87013523
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 60501681
1-[3-[[ethylamino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 111165291
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-one
CID 110839307
3-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 60542887
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
CID 110853267
3-cyclohexyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 898320
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1-methylpyrrolidin-2-yl)ethanone
CID 110853309
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 60500933
2-[3-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-3-oxopropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 87029948
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
1-[4-(4-fluorophenyl)piperazin-1-yl]hexan-1-one
CID 591294

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N,N-dimethylpyrrolidine-2-carboxamide (CID 75806353) is 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1CCC(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is XCUDXLWHHPPAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN4O2/c1-22(2)20(27)18-4-3-10-24(18)11-9-19(26)25-14-12-23(13-15-25)17-7-5-16(21)6-8-17/h5-8,18H,3-4,9-15H2,1-2H3.
What are the key properties of 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N,N-dimethylpyrrolidine-2-carboxamide?
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 75806353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).