N-(2,4-difluorophenyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide

C22H27F2N3O2 — CID 55470481

IUPACN-(2,4-difluorophenyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide
SMILESCCOc1ccc(CN2CCN(C(C)C(=O)Nc3ccc(F)cc3F)CC2)cc1
InChIInChI=1S/C22H27F2N3O2/c1-3-29-19-7-4-17(5-8-19)15-26-10-12-27(13-11-26)16(2)22(28)25-21-9-6-18(23)14-20(21)24/h4-9,14,16H,3,10-13,15H2,1-2H3,(H,25,28)
InChIKeyMCKGHFCYYFOOLP-UHFFFAOYSA-N
MW403.47 g/mol
LogP3.51
Rot. Bonds7

About N-(2,4-difluorophenyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide

N-(2,4-difluorophenyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide (PubChem CID 55470481) has the molecular formula C22H27F2N3O2 and a molecular weight of 403.47 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide
PubChem CID55470481
Molecular FormulaC22H27F2N3O2
Molecular Weight403.47 g/mol
Exact Mass403.21
IUPAC NameN-(2,4-difluorophenyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide
SMILESCCOc1ccc(CN2CCN(C(C)C(=O)Nc3ccc(F)cc3F)CC2)cc1
InChIInChI=1S/C22H27F2N3O2/c1-3-29-19-7-4-17(5-8-19)15-26-10-12-27(13-11-26)16(2)22(28)25-21-9-6-18(23)14-20(21)24/h4-9,14,16H,3,10-13,15H2,1-2H3,(H,25,28)
InChIKeyMCKGHFCYYFOOLP-UHFFFAOYSA-N
XLogP3.51
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.47
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-fluorophenyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 55470118
2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(2,4-difluorophenyl)propanamide
CID 55498476
2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 46663177
N-(2-chlorophenyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 55470341
(2S)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 9130375
N-(2-chloro-4,6-dimethylphenyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 55540699
(2S)-N-(4-chloro-2-fluorophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide
CID 30739460
(2R)-N-(2-chloro-4-fluorophenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propanamide
CID 9258269
(2S)-N-(2-chloro-4-fluorophenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide
CID 9259474
N-(benzylcarbamoyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 55470639
(2S)-N-(2-chloro-4-fluorophenyl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 9436296
(2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 8721161

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide (CID 55470481) is N-(2,4-difluorophenyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide is CCOc1ccc(CN2CCN(C(C)C(=O)Nc3ccc(F)cc3F)CC2)cc1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide?
The InChIKey is MCKGHFCYYFOOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F2N3O2/c1-3-29-19-7-4-17(5-8-19)15-26-10-12-27(13-11-26)16(2)22(28)25-21-9-6-18(23)14-20(21)24/h4-9,14,16H,3,10-13,15H2,1-2H3,(H,25,28).
What are the key properties of N-(2,4-difluorophenyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide?
N-(2,4-difluorophenyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide has a molecular weight of 403.47 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 55470481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).