2-(3,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide

C15H21F2N3O2 — CID 119445694

IUPAC2-(3,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
SMILESCC(Oc1ccc(F)c(F)c1)C(=O)NCCN1CCNCC1
InChIInChI=1S/C15H21F2N3O2/c1-11(22-12-2-3-13(16)14(17)10-12)15(21)19-6-9-20-7-4-18-5-8-20/h2-3,10-11,18H,4-9H2,1H3,(H,19,21)
InChIKeySEZGWABOLUWUKV-UHFFFAOYSA-N
MW313.35 g/mol
LogP0.75
Rot. Bonds6

About 2-(3,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide

2-(3,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide (PubChem CID 119445694) has the molecular formula C15H21F2N3O2 and a molecular weight of 313.35 g/mol. Its IUPAC name is 2-(3,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide.

Molecular Properties

Compound Name2-(3,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
PubChem CID119445694
Molecular FormulaC15H21F2N3O2
Molecular Weight313.35 g/mol
Exact Mass313.16
IUPAC Name2-(3,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
SMILESCC(Oc1ccc(F)c(F)c1)C(=O)NCCN1CCNCC1
InChIInChI=1S/C15H21F2N3O2/c1-11(22-12-2-3-13(16)14(17)10-12)15(21)19-6-9-20-7-4-18-5-8-20/h2-3,10-11,18H,4-9H2,1H3,(H,19,21)
InChIKeySEZGWABOLUWUKV-UHFFFAOYSA-N
XLogP0.75
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 119446147
2-(3-chlorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 62048123
2-(4-tert-butylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 119445906
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(3,4-difluorophenoxy)propanamide
CID 86944832
2-(3,4-difluorophenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
CID 120812855
4-(3,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119446997
2-phenoxy-N-(3-piperazin-1-ylpropyl)propanamide
CID 119394204
2-methoxy-N-(2-piperazin-1-ylethyl)propanamide
CID 115736805
(2S)-2-(3,4-difluorophenoxy)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide
CID 94815844
2-(4-tert-butylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391638
(2S)-N-(cyclopropylmethyl)-2-(3,4-difluorophenoxy)propanamide
CID 95160340
2-(4-chlorophenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 51159478

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide?
The IUPAC name of 2-(3,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide (CID 119445694) is 2-(3,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide.
What is the SMILES notation for 2-(3,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide?
The canonical SMILES for 2-(3,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide is CC(Oc1ccc(F)c(F)c1)C(=O)NCCN1CCNCC1.
What is the InChIKey of 2-(3,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide?
The InChIKey is SEZGWABOLUWUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O2/c1-11(22-12-2-3-13(16)14(17)10-12)15(21)19-6-9-20-7-4-18-5-8-20/h2-3,10-11,18H,4-9H2,1H3,(H,19,21).
What are the key properties of 2-(3,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide?
2-(3,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide has a molecular weight of 313.35 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide is sourced from PubChem (CID 119445694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).