N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(4-methoxyphenyl)propanamide

C22H28FN3O2 — CID 42267166

IUPACN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCN2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C22H28FN3O2/c1-28-19-9-6-18(7-10-19)8-11-22(27)24-12-13-25-14-16-26(17-15-25)21-5-3-2-4-20(21)23/h2-7,9-10H,8,11-17H2,1H3,(H,24,27)
InChIKeySNDSDVYMZFAPBS-UHFFFAOYSA-N
MW385.48 g/mol
LogP2.71
Rot. Bonds8

About N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(4-methoxyphenyl)propanamide

N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 42267166) has the molecular formula C22H28FN3O2 and a molecular weight of 385.48 g/mol. Its IUPAC name is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(4-methoxyphenyl)propanamide
PubChem CID42267166
Molecular FormulaC22H28FN3O2
Molecular Weight385.48 g/mol
Exact Mass385.22
IUPAC NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCN2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C22H28FN3O2/c1-28-19-9-6-18(7-10-19)8-11-22(27)24-12-13-25-14-16-26(17-15-25)21-5-3-2-4-20(21)23/h2-7,9-10H,8,11-17H2,1H3,(H,24,27)
InChIKeySNDSDVYMZFAPBS-UHFFFAOYSA-N
XLogP2.71
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(4-methoxyphenyl)propanamide (CID 42267166) is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NCCN2CCN(c3ccccc3F)CC2)cc1.
What is the InChIKey of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is SNDSDVYMZFAPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O2/c1-28-19-9-6-18(7-10-19)8-11-22(27)24-12-13-25-14-16-26(17-15-25)21-5-3-2-4-20(21)23/h2-7,9-10H,8,11-17H2,1H3,(H,24,27).
What are the key properties of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(4-methoxyphenyl)propanamide?
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 385.48 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 42267166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).