2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide

C16H22FN3O2 — CID 34815059

IUPAC2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C16H22FN3O2/c1-2-6-18-15(21)12-19-7-9-20(10-8-19)16(22)13-4-3-5-14(17)11-13/h3-5,11H,2,6-10,12H2,1H3,(H,18,21)
InChIKeyKUVWTYZBQHJRAQ-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.11
Rot. Bonds5

About 2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide

2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide (PubChem CID 34815059) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is 2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide
PubChem CID34815059
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC Name2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C16H22FN3O2/c1-2-6-18-15(21)12-19-7-9-20(10-8-19)16(22)13-4-3-5-14(17)11-13/h3-5,11H,2,6-10,12H2,1H3,(H,18,21)
InChIKeyKUVWTYZBQHJRAQ-UHFFFAOYSA-N
XLogP1.11
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(ethoxymethyl)phenyl]methyl]-2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]acetamide
CID 78898201
2-[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]-N-propylacetamide;hydrochloride
CID 17420279
2-(4-benzoylpiperazin-1-yl)-N-pentylacetamide
CID 8597427
2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide
CID 51231932
[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone
CID 764804
N-[3-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 55544186
2-[4-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N-propylacetamide
CID 55377147
N-(4-fluorophenyl)-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide
CID 17446865
[4-(2-chloroethyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 39161614
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
N-butyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 35357599
N-(3-fluorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide
CID 17449744

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide (CID 34815059) is 2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCN(C(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide?
The InChIKey is KUVWTYZBQHJRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2/c1-2-6-18-15(21)12-19-7-9-20(10-8-19)16(22)13-4-3-5-14(17)11-13/h3-5,11H,2,6-10,12H2,1H3,(H,18,21).
What are the key properties of 2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide?
2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide has a molecular weight of 307.37 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide is sourced from PubChem (CID 34815059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).