N-cyclopropyl-2-[4-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperazin-1-yl]propanamide

C19H26FN3O3 — CID 86918070

IUPACN-cyclopropyl-2-[4-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperazin-1-yl]propanamide
SMILESCOc1ccc(CC(=O)N2CCN(C(C)C(=O)NC3CC3)CC2)cc1F
InChIInChI=1S/C19H26FN3O3/c1-13(19(25)21-15-4-5-15)22-7-9-23(10-8-22)18(24)12-14-3-6-17(26-2)16(20)11-14/h3,6,11,13,15H,4-5,7-10,12H2,1-2H3,(H,21,25)
InChIKeyTYKQWTQRSBSREM-UHFFFAOYSA-N
MW363.43 g/mol
LogP1.19
Rot. Bonds6

About N-cyclopropyl-2-[4-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperazin-1-yl]propanamide

N-cyclopropyl-2-[4-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperazin-1-yl]propanamide (PubChem CID 86918070) has the molecular formula C19H26FN3O3 and a molecular weight of 363.43 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperazin-1-yl]propanamide
PubChem CID86918070
Molecular FormulaC19H26FN3O3
Molecular Weight363.43 g/mol
Exact Mass363.20
IUPAC NameN-cyclopropyl-2-[4-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperazin-1-yl]propanamide
SMILESCOc1ccc(CC(=O)N2CCN(C(C)C(=O)NC3CC3)CC2)cc1F
InChIInChI=1S/C19H26FN3O3/c1-13(19(25)21-15-4-5-15)22-7-9-23(10-8-22)18(24)12-14-3-6-17(26-2)16(20)11-14/h3,6,11,13,15H,4-5,7-10,12H2,1-2H3,(H,21,25)
InChIKeyTYKQWTQRSBSREM-UHFFFAOYSA-N
XLogP1.19
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]propanamide
CID 51329083
N-cyclopropyl-2-[4-[2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]propanamide
CID 78831379
2-[4-[2-(4-aminophenyl)acetyl]piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride
CID 119839030
1-(azepan-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 60667511
2-[1-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperidin-4-yl]acetic acid
CID 119178808
N-(4-aminocyclohexyl)-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 119474491
2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 51325438
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 110802400
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667346
N-(cyclohexylcarbamoyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide
CID 46444767
N-cyclopropyl-2-[4-[2-(2-fluorophenyl)sulfanylacetyl]piperazin-1-yl]propanamide
CID 51329075
1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 99612260

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperazin-1-yl]propanamide?
The IUPAC name of N-cyclopropyl-2-[4-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperazin-1-yl]propanamide (CID 86918070) is N-cyclopropyl-2-[4-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-cyclopropyl-2-[4-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperazin-1-yl]propanamide is COc1ccc(CC(=O)N2CCN(C(C)C(=O)NC3CC3)CC2)cc1F.
What is the InChIKey of N-cyclopropyl-2-[4-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperazin-1-yl]propanamide?
The InChIKey is TYKQWTQRSBSREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O3/c1-13(19(25)21-15-4-5-15)22-7-9-23(10-8-22)18(24)12-14-3-6-17(26-2)16(20)11-14/h3,6,11,13,15H,4-5,7-10,12H2,1-2H3,(H,21,25).
What are the key properties of N-cyclopropyl-2-[4-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperazin-1-yl]propanamide?
N-cyclopropyl-2-[4-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperazin-1-yl]propanamide has a molecular weight of 363.43 g/mol, XLogP of 1.19, 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-(3-fluoro-4-methoxyphenyl)acetyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 86918070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).