4-(3,4-difluorophenyl)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride

C16H24ClF2N3O — CID 119447099

IUPAC4-(3,4-difluorophenyl)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
SMILESCl.O=C(CCCc1ccc(F)c(F)c1)NCCN1CCNCC1
InChIInChI=1S/C16H23F2N3O.ClH/c17-14-5-4-13(12-15(14)18)2-1-3-16(22)20-8-11-21-9-6-19-7-10-21;/h4-5,12,19H,1-3,6-11H2,(H,20,22);1H
InChIKeyXWOGSVMWSAAVDZ-UHFFFAOYSA-N
MW347.84 g/mol
LogP1.73
Rot. Bonds7

About 4-(3,4-difluorophenyl)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride

4-(3,4-difluorophenyl)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride (PubChem CID 119447099) has the molecular formula C16H24ClF2N3O and a molecular weight of 347.84 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
PubChem CID119447099
Molecular FormulaC16H24ClF2N3O
Molecular Weight347.84 g/mol
Exact Mass347.16
IUPAC Name4-(3,4-difluorophenyl)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
SMILESCl.O=C(CCCc1ccc(F)c(F)c1)NCCN1CCNCC1
InChIInChI=1S/C16H23F2N3O.ClH/c17-14-5-4-13(12-15(14)18)2-1-3-16(22)20-8-11-21-9-6-19-7-10-21;/h4-5,12,19H,1-3,6-11H2,(H,20,22);1H
InChIKeyXWOGSVMWSAAVDZ-UHFFFAOYSA-N
XLogP1.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-difluorophenyl)-N-(3-piperazin-1-ylpropyl)butanamide
CID 119392670
4-(4-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119444966
4-(3,4-difluorophenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119451917
2-(4-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119260061
N-(2-piperazin-1-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119447265
4-(3,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119446997
2-(2-fluorophenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 43600344
4-chloro-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119445404
3-(4-fluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 119445997
2-(3-chlorophenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119448868
4-(4-ethoxyphenoxy)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119445383
2-(3,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 119445694

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride?
The IUPAC name of 4-(3,4-difluorophenyl)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride (CID 119447099) is 4-(3,4-difluorophenyl)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride.
What is the SMILES notation for 4-(3,4-difluorophenyl)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride?
The canonical SMILES for 4-(3,4-difluorophenyl)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride is Cl.O=C(CCCc1ccc(F)c(F)c1)NCCN1CCNCC1.
What is the InChIKey of 4-(3,4-difluorophenyl)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride?
The InChIKey is XWOGSVMWSAAVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3O.ClH/c17-14-5-4-13(12-15(14)18)2-1-3-16(22)20-8-11-21-9-6-19-7-10-21;/h4-5,12,19H,1-3,6-11H2,(H,20,22);1H.
What are the key properties of 4-(3,4-difluorophenyl)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride?
4-(3,4-difluorophenyl)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride has a molecular weight of 347.84 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride is sourced from PubChem (CID 119447099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).