N-[(2-chlorophenyl)methyl]-3-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propanamide

C22H25ClFN3O3 — CID 78896187

IUPACN-[(2-chlorophenyl)methyl]-3-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propanamide
SMILESO=C(CCN1CCN(C(=O)COc2ccc(F)cc2)CC1)NCc1ccccc1Cl
InChIInChI=1S/C22H25ClFN3O3/c23-20-4-2-1-3-17(20)15-25-21(28)9-10-26-11-13-27(14-12-26)22(29)16-30-19-7-5-18(24)6-8-19/h1-8H,9-16H2,(H,25,28)
InChIKeyMRDSEOXYWRCQIA-UHFFFAOYSA-N
MW433.91 g/mol
LogP2.71
Rot. Bonds8

About N-[(2-chlorophenyl)methyl]-3-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propanamide

N-[(2-chlorophenyl)methyl]-3-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propanamide (PubChem CID 78896187) has the molecular formula C22H25ClFN3O3 and a molecular weight of 433.91 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propanamide
PubChem CID78896187
Molecular FormulaC22H25ClFN3O3
Molecular Weight433.91 g/mol
Exact Mass433.16
IUPAC NameN-[(2-chlorophenyl)methyl]-3-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propanamide
SMILESO=C(CCN1CCN(C(=O)COc2ccc(F)cc2)CC1)NCc1ccccc1Cl
InChIInChI=1S/C22H25ClFN3O3/c23-20-4-2-1-3-17(20)15-25-21(28)9-10-26-11-13-27(14-12-26)22(29)16-30-19-7-5-18(24)6-8-19/h1-8H,9-16H2,(H,25,28)
InChIKeyMRDSEOXYWRCQIA-UHFFFAOYSA-N
XLogP2.71
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.91
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropanamide
CID 110688132
1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110666265
2-(4-chlorophenoxy)-1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]ethanone
CID 19293287
3-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 78896184
2-(4-chlorophenoxy)-1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]ethanone
CID 110412047
N-(3-chloro-4-cyanophenyl)-3-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propanamide
CID 87017025
1-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 78877266
N-[(2-chlorophenyl)methyl]-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113107783
1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]butan-1-one
CID 110817306
1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]-2-phenoxyethanone
CID 110602312
3-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-N-phenylpropanamide
CID 110422037
2-(2-chlorophenoxy)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
CID 55361413

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propanamide (CID 78896187) is N-[(2-chlorophenyl)methyl]-3-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propanamide is O=C(CCN1CCN(C(=O)COc2ccc(F)cc2)CC1)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propanamide?
The InChIKey is MRDSEOXYWRCQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFN3O3/c23-20-4-2-1-3-17(20)15-25-21(28)9-10-26-11-13-27(14-12-26)22(29)16-30-19-7-5-18(24)6-8-19/h1-8H,9-16H2,(H,25,28).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propanamide?
N-[(2-chlorophenyl)methyl]-3-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propanamide has a molecular weight of 433.91 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-chlorophenyl)methyl]-3-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 78896187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).