N-(4-fluorophenyl)-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide

C16H23FN4O2 — CID 17446865

IUPACN-(4-fluorophenyl)-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide
SMILESCCCNC(=O)CN1CCN(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C16H23FN4O2/c1-2-7-18-15(22)12-20-8-10-21(11-9-20)16(23)19-14-5-3-13(17)4-6-14/h3-6H,2,7-12H2,1H3,(H,18,22)(H,19,23)
InChIKeyXYSCGLINFVUSJG-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.50
Rot. Bonds5

About N-(4-fluorophenyl)-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide

N-(4-fluorophenyl)-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide (PubChem CID 17446865) has the molecular formula C16H23FN4O2 and a molecular weight of 322.38 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide
PubChem CID17446865
Molecular FormulaC16H23FN4O2
Molecular Weight322.38 g/mol
Exact Mass322.18
IUPAC NameN-(4-fluorophenyl)-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide
SMILESCCCNC(=O)CN1CCN(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C16H23FN4O2/c1-2-7-18-15(22)12-20-8-10-21(11-9-20)16(23)19-14-5-3-13(17)4-6-14/h3-6H,2,7-12H2,1H3,(H,18,22)(H,19,23)
InChIKeyXYSCGLINFVUSJG-UHFFFAOYSA-N
XLogP1.50
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoyl]piperazin-1-yl]-N-propylacetamide
CID 55372552
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-hexylacetamide
CID 8804929
(2R)-N-(4-fluorophenyl)-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]-2-phenylacetamide
CID 8774242
N-(4-fluorophenyl)-4-(propylamino)piperidine-1-carboxamide
CID 60819629
1-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-N-(4-fluorophenyl)piperazine-1,4-dicarboxamide
CID 175260722
N-(4-fluorophenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 3030092
2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide
CID 34815059
N-(4-methylphenyl)-4-[2-oxo-2-(propylamino)ethyl]piperidine-1-carboxamide
CID 52998818
N-[(3-methylthiophen-2-yl)methyl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide
CID 52574907
2-[4-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N-propylacetamide
CID 55377147
2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide;dihydrochloride
CID 120502556
2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide
CID 51231932

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide (CID 17446865) is N-(4-fluorophenyl)-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide is CCCNC(=O)CN1CCN(C(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide?
The InChIKey is XYSCGLINFVUSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O2/c1-2-7-18-15(22)12-20-8-10-21(11-9-20)16(23)19-14-5-3-13(17)4-6-14/h3-6H,2,7-12H2,1H3,(H,18,22)(H,19,23).
What are the key properties of N-(4-fluorophenyl)-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide?
N-(4-fluorophenyl)-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide has a molecular weight of 322.38 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 17446865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).