N-(3,5-dimethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide

C21H26FN3O3 — CID 645625

IUPACN-(3,5-dimethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
SMILESCOc1cc(NC(=O)CCN2CCN(c3ccccc3F)CC2)cc(OC)c1
InChIInChI=1S/C21H26FN3O3/c1-27-17-13-16(14-18(15-17)28-2)23-21(26)7-8-24-9-11-25(12-10-24)20-6-4-3-5-19(20)22/h3-6,13-15H,7-12H2,1-2H3,(H,23,26)
InChIKeyFQRMNRIBFZUIRQ-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.99
Rot. Bonds7

About N-(3,5-dimethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide

N-(3,5-dimethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide (PubChem CID 645625) has the molecular formula C21H26FN3O3 and a molecular weight of 387.46 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
PubChem CID645625
Molecular FormulaC21H26FN3O3
Molecular Weight387.46 g/mol
Exact Mass387.20
IUPAC NameN-(3,5-dimethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
SMILESCOc1cc(NC(=O)CCN2CCN(c3ccccc3F)CC2)cc(OC)c1
InChIInChI=1S/C21H26FN3O3/c1-27-17-13-16(14-18(15-17)28-2)23-21(26)7-8-24-9-11-25(12-10-24)20-6-4-3-5-19(20)22/h3-6,13-15H,7-12H2,1-2H3,(H,23,26)
InChIKeyFQRMNRIBFZUIRQ-UHFFFAOYSA-N
XLogP2.99
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide (CID 645625) is N-(3,5-dimethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide is COc1cc(NC(=O)CCN2CCN(c3ccccc3F)CC2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide?
The InChIKey is FQRMNRIBFZUIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O3/c1-27-17-13-16(14-18(15-17)28-2)23-21(26)7-8-24-9-11-25(12-10-24)20-6-4-3-5-19(20)22/h3-6,13-15H,7-12H2,1-2H3,(H,23,26).
What are the key properties of N-(3,5-dimethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide?
N-(3,5-dimethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide has a molecular weight of 387.46 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 645625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).