N-(cyanomethyl)-2-[4-(2,3-difluorophenyl)piperazin-1-yl]acetamide

C14H16F2N4O — CID 136526133

IUPACN-(cyanomethyl)-2-[4-(2,3-difluorophenyl)piperazin-1-yl]acetamide
SMILESN#CCNC(=O)CN1CCN(c2cccc(F)c2F)CC1
InChIInChI=1S/C14H16F2N4O/c15-11-2-1-3-12(14(11)16)20-8-6-19(7-9-20)10-13(21)18-5-4-17/h1-3H,5-10H2,(H,18,21)
InChIKeyVBTLTFKVJSTHLH-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.73
Rot. Bonds4

About N-(cyanomethyl)-2-[4-(2,3-difluorophenyl)piperazin-1-yl]acetamide

N-(cyanomethyl)-2-[4-(2,3-difluorophenyl)piperazin-1-yl]acetamide (PubChem CID 136526133) has the molecular formula C14H16F2N4O and a molecular weight of 294.31 g/mol. Its IUPAC name is N-(cyanomethyl)-2-[4-(2,3-difluorophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-[4-(2,3-difluorophenyl)piperazin-1-yl]acetamide
PubChem CID136526133
Molecular FormulaC14H16F2N4O
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC NameN-(cyanomethyl)-2-[4-(2,3-difluorophenyl)piperazin-1-yl]acetamide
SMILESN#CCNC(=O)CN1CCN(c2cccc(F)c2F)CC1
InChIInChI=1S/C14H16F2N4O/c15-11-2-1-3-12(14(11)16)20-8-6-19(7-9-20)10-13(21)18-5-4-17/h1-3H,5-10H2,(H,18,21)
InChIKeyVBTLTFKVJSTHLH-UHFFFAOYSA-N
XLogP0.73
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N-carbamoyl-2-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]acetamide
CID 37121528
N-[(2-fluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 26553275
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 31339544
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide
CID 109004402
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 17438368
N-(2,6-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 27150835
2-[4-(2-fluorophenyl)piperazin-1-yl]acetohydrazide
CID 63570220
N-(cyanomethyl)-2-[4-(cyanomethyl)piperazin-1-yl]acetamide
CID 55218311
N-(ethylcarbamoyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 27150301
N-(2-cyanophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 670932
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 27150831
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 60512330

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-[4-(2,3-difluorophenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(cyanomethyl)-2-[4-(2,3-difluorophenyl)piperazin-1-yl]acetamide (CID 136526133) is N-(cyanomethyl)-2-[4-(2,3-difluorophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-[4-(2,3-difluorophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(cyanomethyl)-2-[4-(2,3-difluorophenyl)piperazin-1-yl]acetamide is N#CCNC(=O)CN1CCN(c2cccc(F)c2F)CC1.
What is the InChIKey of N-(cyanomethyl)-2-[4-(2,3-difluorophenyl)piperazin-1-yl]acetamide?
The InChIKey is VBTLTFKVJSTHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O/c15-11-2-1-3-12(14(11)16)20-8-6-19(7-9-20)10-13(21)18-5-4-17/h1-3H,5-10H2,(H,18,21).
What are the key properties of N-(cyanomethyl)-2-[4-(2,3-difluorophenyl)piperazin-1-yl]acetamide?
N-(cyanomethyl)-2-[4-(2,3-difluorophenyl)piperazin-1-yl]acetamide has a molecular weight of 294.31 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-[4-(2,3-difluorophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 136526133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).