2-[4-(4-fluorophenyl)piperazin-1-yl]-N-pyrrolidin-3-ylpropanamide

C17H25FN4O — CID 119453015

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-N-pyrrolidin-3-ylpropanamide
SMILESCC(C(=O)NC1CCNC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H25FN4O/c1-13(17(23)20-15-6-7-19-12-15)21-8-10-22(11-9-21)16-4-2-14(18)3-5-16/h2-5,13,15,19H,6-12H2,1H3,(H,20,23)
InChIKeyVKIHOBGZWBDYGB-UHFFFAOYSA-N
MW320.41 g/mol
LogP0.81
Rot. Bonds4

About 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-pyrrolidin-3-ylpropanamide

2-[4-(4-fluorophenyl)piperazin-1-yl]-N-pyrrolidin-3-ylpropanamide (PubChem CID 119453015) has the molecular formula C17H25FN4O and a molecular weight of 320.41 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-pyrrolidin-3-ylpropanamide
PubChem CID119453015
Molecular FormulaC17H25FN4O
Molecular Weight320.41 g/mol
Exact Mass320.20
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-pyrrolidin-3-ylpropanamide
SMILESCC(C(=O)NC1CCNC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H25FN4O/c1-13(17(23)20-15-6-7-19-12-15)21-8-10-22(11-9-21)16-4-2-14(18)3-5-16/h2-5,13,15,19H,6-12H2,1H3,(H,20,23)
InChIKeyVKIHOBGZWBDYGB-UHFFFAOYSA-N
XLogP0.81
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]propanamide
CID 8703916
(2R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 11927997
4-(4-propan-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylbenzamide;dihydrochloride
CID 119454257
N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 78698233
N-(cyclohexylcarbamoyl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propanamide
CID 87019512
N-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide
CID 46043327
2-[2-[4-(4-fluorophenyl)piperazin-1-yl]propanoylamino]-2-phenylacetic acid
CID 154743598
N-(cyclohexylmethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 4880388
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 8703867
2-(azepan-1-yl)-N-pyrrolidin-3-ylpropanamide
CID 119450526
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-pyrrolidin-3-ylpropanamide?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-pyrrolidin-3-ylpropanamide (CID 119453015) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-pyrrolidin-3-ylpropanamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-pyrrolidin-3-ylpropanamide is CC(C(=O)NC1CCNC1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-pyrrolidin-3-ylpropanamide?
The InChIKey is VKIHOBGZWBDYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN4O/c1-13(17(23)20-15-6-7-19-12-15)21-8-10-22(11-9-21)16-4-2-14(18)3-5-16/h2-5,13,15,19H,6-12H2,1H3,(H,20,23).
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-pyrrolidin-3-ylpropanamide?
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-pyrrolidin-3-ylpropanamide has a molecular weight of 320.41 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 119453015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).