2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide

C21H30FN3O2 — CID 109139092

IUPAC2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide
SMILESCCCN(CCC)C(=O)C1CC1C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H30FN3O2/c1-3-9-24(10-4-2)20(26)16-15-17(16)21(27)25-13-11-23(12-14-25)19-8-6-5-7-18(19)22/h5-8,16-17H,3-4,9-15H2,1-2H3
InChIKeyKQECYDBXFHGLEU-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.76
Rot. Bonds7

About 2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide

2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide (PubChem CID 109139092) has the molecular formula C21H30FN3O2 and a molecular weight of 375.49 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide
PubChem CID109139092
Molecular FormulaC21H30FN3O2
Molecular Weight375.49 g/mol
Exact Mass375.23
IUPAC Name2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide
SMILESCCCN(CCC)C(=O)C1CC1C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H30FN3O2/c1-3-9-24(10-4-2)20(26)16-15-17(16)21(27)25-13-11-23(12-14-25)19-8-6-5-7-18(19)22/h5-8,16-17H,3-4,9-15H2,1-2H3
InChIKeyKQECYDBXFHGLEU-UHFFFAOYSA-N
XLogP2.76
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylpiperazin-1-yl)-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]methanone
CID 109134358
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide
CID 5151128
N-[(4-fluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 109136049
2-adamantyl-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 51191557
N-benzyl-N-ethyl-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109136754
(2-aminocyclopentyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 64823960
cyclopropyl-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 34228816
4-(2-fluorophenyl)-N,N-dimethylpiperazine-1-carboxamide
CID 3757399
(4-aminooxolan-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 66240445
[4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylcyclopropyl)methanone
CID 110681327
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperidin-1-yl)ethane-1,2-dione
CID 108504673
1-[4-(2-fluorophenyl)piperazin-1-yl]heptan-1-one
CID 3309376

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide (CID 109139092) is 2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide is CCCN(CCC)C(=O)C1CC1C(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide?
The InChIKey is KQECYDBXFHGLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN3O2/c1-3-9-24(10-4-2)20(26)16-15-17(16)21(27)25-13-11-23(12-14-25)19-8-6-5-7-18(19)22/h5-8,16-17H,3-4,9-15H2,1-2H3.
What are the key properties of 2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide?
2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide has a molecular weight of 375.49 g/mol, XLogP of 2.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide is sourced from PubChem (CID 109139092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).