N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]propanamide

C17H22FN3O2 — CID 51329108

IUPACN-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)NC1CC1)N1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C17H22FN3O2/c1-12(16(22)19-13-6-7-13)20-8-10-21(11-9-20)17(23)14-4-2-3-5-15(14)18/h2-5,12-13H,6-11H2,1H3,(H,19,22)
InChIKeyFNXNUXHSFVUMID-UHFFFAOYSA-N
MW319.38 g/mol
LogP1.25
Rot. Bonds4

About N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]propanamide

N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]propanamide (PubChem CID 51329108) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]propanamide
PubChem CID51329108
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC NameN-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)NC1CC1)N1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C17H22FN3O2/c1-12(16(22)19-13-6-7-13)20-8-10-21(11-9-20)17(23)14-4-2-3-5-15(14)18/h2-5,12-13H,6-11H2,1H3,(H,19,22)
InChIKeyFNXNUXHSFVUMID-UHFFFAOYSA-N
XLogP1.25
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-aminobenzoyl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 119946341
2-[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 51299634
N-cyclopropyl-2-[4-(5-fluoro-2-methylbenzoyl)piperazin-1-yl]propanamide
CID 86916677
N-cyclopropyl-2-[4-[2-(2-fluorophenyl)sulfanylacetyl]piperazin-1-yl]propanamide
CID 51329075
[4-(1-cyclopropylethyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 110708758
N-(4-ethylcyclohexyl)-4-(2-fluorobenzoyl)piperazine-1-carboxamide
CID 87039063
N-cyclopropyl-2-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]propanamide
CID 46448196
(2R)-N-cyclopropyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide
CID 31688904
N-cyclopropyl-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]propanamide
CID 42929785
N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 51221138
(2S)-2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-methylpentanamide;hydrochloride
CID 119710991
N-cyclopropyl-2-[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]propanamide
CID 51299542

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]propanamide?
The IUPAC name of N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]propanamide (CID 51329108) is N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]propanamide is CC(C(=O)NC1CC1)N1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]propanamide?
The InChIKey is FNXNUXHSFVUMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-12(16(22)19-13-6-7-13)20-8-10-21(11-9-20)17(23)14-4-2-3-5-15(14)18/h2-5,12-13H,6-11H2,1H3,(H,19,22).
What are the key properties of N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]propanamide?
N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]propanamide has a molecular weight of 319.38 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 51329108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).