N-(2,2-difluoroethyl)-2-piperazin-1-ylpropanamide

C9H17F2N3O — CID 115407717

IUPACN-(2,2-difluoroethyl)-2-piperazin-1-ylpropanamide
SMILESCC(C(=O)NCC(F)F)N1CCNCC1
InChIInChI=1S/C9H17F2N3O/c1-7(9(15)13-6-8(10)11)14-4-2-12-3-5-14/h7-8,12H,2-6H2,1H3,(H,13,15)
InChIKeyFJDNQAOMWXJCMI-UHFFFAOYSA-N
MW221.25 g/mol
LogP-0.34
Rot. Bonds4

About N-(2,2-difluoroethyl)-2-piperazin-1-ylpropanamide

N-(2,2-difluoroethyl)-2-piperazin-1-ylpropanamide (PubChem CID 115407717) has the molecular formula C9H17F2N3O and a molecular weight of 221.25 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-piperazin-1-ylpropanamide
PubChem CID115407717
Molecular FormulaC9H17F2N3O
Molecular Weight221.25 g/mol
Exact Mass221.13
IUPAC NameN-(2,2-difluoroethyl)-2-piperazin-1-ylpropanamide
SMILESCC(C(=O)NCC(F)F)N1CCNCC1
InChIInChI=1S/C9H17F2N3O/c1-7(9(15)13-6-8(10)11)14-4-2-12-3-5-14/h7-8,12H,2-6H2,1H3,(H,13,15)
InChIKeyFJDNQAOMWXJCMI-UHFFFAOYSA-N
XLogP-0.34
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(1,4,7,10-tetrazacyclododec-1-yl)propanoylamino]acetic acid
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N-[2-(dimethylcarbamoylamino)ethyl]-2-piperazin-1-ylpropanamide
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N-(ethylcarbamoyl)-2-piperazin-1-ylpropanamide
CID 43089574
N-[2-(3-fluorophenyl)ethyl]-2-piperazin-1-ylpropanamide
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2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide
CID 115189236
N-[(1-methylimidazol-2-yl)methyl]-2-piperazin-1-ylpropanamide
CID 55171775
N-[(1,1-dioxothiolan-3-yl)methyl]-2-piperazin-1-ylpropanamide
CID 62131979
N-[(4-methoxyphenyl)methyl]-2-piperazin-1-ylpropanamide
CID 43089556
2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide
CID 63244626
N-(4-methylsulfinylbutan-2-yl)-2-piperazin-1-ylpropanamide
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N-(4-fluorophenyl)-2-piperazin-1-ylpropanamide
CID 43089583

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-piperazin-1-ylpropanamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-piperazin-1-ylpropanamide (CID 115407717) is N-(2,2-difluoroethyl)-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-piperazin-1-ylpropanamide is CC(C(=O)NCC(F)F)N1CCNCC1.
What is the InChIKey of N-(2,2-difluoroethyl)-2-piperazin-1-ylpropanamide?
The InChIKey is FJDNQAOMWXJCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N3O/c1-7(9(15)13-6-8(10)11)14-4-2-12-3-5-14/h7-8,12H,2-6H2,1H3,(H,13,15).
What are the key properties of N-(2,2-difluoroethyl)-2-piperazin-1-ylpropanamide?
N-(2,2-difluoroethyl)-2-piperazin-1-ylpropanamide has a molecular weight of 221.25 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 115407717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).