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

C18H24FN3O2S — CID 51329075

IUPACN-cyclopropyl-2-[4-[2-(2-fluorophenyl)sulfanylacetyl]piperazin-1-yl]propanamide
SMILESCC(C(=O)NC1CC1)N1CCN(C(=O)CSc2ccccc2F)CC1
InChIInChI=1S/C18H24FN3O2S/c1-13(18(24)20-14-6-7-14)21-8-10-22(11-9-21)17(23)12-25-16-5-3-2-4-15(16)19/h2-5,13-14H,6-12H2,1H3,(H,20,24)
InChIKeyJTWRPLNQFYFWLT-UHFFFAOYSA-N
MW365.47 g/mol
LogP1.73
Rot. Bonds6

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

N-cyclopropyl-2-[4-[2-(2-fluorophenyl)sulfanylacetyl]piperazin-1-yl]propanamide (PubChem CID 51329075) has the molecular formula C18H24FN3O2S and a molecular weight of 365.47 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[2-(2-fluorophenyl)sulfanylacetyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[2-(2-fluorophenyl)sulfanylacetyl]piperazin-1-yl]propanamide
PubChem CID51329075
Molecular FormulaC18H24FN3O2S
Molecular Weight365.47 g/mol
Exact Mass365.16
IUPAC NameN-cyclopropyl-2-[4-[2-(2-fluorophenyl)sulfanylacetyl]piperazin-1-yl]propanamide
SMILESCC(C(=O)NC1CC1)N1CCN(C(=O)CSc2ccccc2F)CC1
InChIInChI=1S/C18H24FN3O2S/c1-13(18(24)20-14-6-7-14)21-8-10-22(11-9-21)17(23)12-25-16-5-3-2-4-15(16)19/h2-5,13-14H,6-12H2,1H3,(H,20,24)
InChIKeyJTWRPLNQFYFWLT-UHFFFAOYSA-N
XLogP1.73
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]propanamide
CID 51329108
(2R)-N-cyclopropyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide
CID 31688904
2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 119839097
N-[3-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]-3-oxopropyl]benzamide
CID 51299599
2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride
CID 119839096
N-cyclopropyl-2-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]propanamide
CID 51329083
2-(2-fluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 39965228
2-[4-[3-(2-aminophenyl)propanoyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 120612201
N-cyclopropyl-2-[4-[2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]propanamide
CID 78831379
N-cyclopropyl-2-[4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazin-1-yl]propanamide
CID 46697935
N-cyclopropyl-2-[4-[3-(2-oxo-1-pyridinyl)propanoyl]piperazin-1-yl]propanamide
CID 86979582
N-cyclopropyl-2-[4-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperazin-1-yl]propanamide
CID 86918070

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[2-(2-fluorophenyl)sulfanylacetyl]piperazin-1-yl]propanamide?
The IUPAC name of N-cyclopropyl-2-[4-[2-(2-fluorophenyl)sulfanylacetyl]piperazin-1-yl]propanamide (CID 51329075) is N-cyclopropyl-2-[4-[2-(2-fluorophenyl)sulfanylacetyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[2-(2-fluorophenyl)sulfanylacetyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-cyclopropyl-2-[4-[2-(2-fluorophenyl)sulfanylacetyl]piperazin-1-yl]propanamide is CC(C(=O)NC1CC1)N1CCN(C(=O)CSc2ccccc2F)CC1.
What is the InChIKey of N-cyclopropyl-2-[4-[2-(2-fluorophenyl)sulfanylacetyl]piperazin-1-yl]propanamide?
The InChIKey is JTWRPLNQFYFWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2S/c1-13(18(24)20-14-6-7-14)21-8-10-22(11-9-21)17(23)12-25-16-5-3-2-4-15(16)19/h2-5,13-14H,6-12H2,1H3,(H,20,24).
What are the key properties of N-cyclopropyl-2-[4-[2-(2-fluorophenyl)sulfanylacetyl]piperazin-1-yl]propanamide?
N-cyclopropyl-2-[4-[2-(2-fluorophenyl)sulfanylacetyl]piperazin-1-yl]propanamide has a molecular weight of 365.47 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[2-(2-fluorophenyl)sulfanylacetyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 51329075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).