2-[4-[1-(2-fluorophenyl)-5-methyltriazole-4-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide

C18H23FN6O2 — CID 46957228

IUPAC2-[4-[1-(2-fluorophenyl)-5-methyltriazole-4-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide
SMILESCc1c(C(=O)N2CCN(CC(=O)N(C)C)CC2)nnn1-c1ccccc1F
InChIInChI=1S/C18H23FN6O2/c1-13-17(20-21-25(13)15-7-5-4-6-14(15)19)18(27)24-10-8-23(9-11-24)12-16(26)22(2)3/h4-7H,8-12H2,1-3H3
InChIKeySMTADJYLPBVWOX-UHFFFAOYSA-N
MW374.42 g/mol
LogP0.56
Rot. Bonds4

About 2-[4-[1-(2-fluorophenyl)-5-methyltriazole-4-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide

2-[4-[1-(2-fluorophenyl)-5-methyltriazole-4-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide (PubChem CID 46957228) has the molecular formula C18H23FN6O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is 2-[4-[1-(2-fluorophenyl)-5-methyltriazole-4-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[1-(2-fluorophenyl)-5-methyltriazole-4-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide
PubChem CID46957228
Molecular FormulaC18H23FN6O2
Molecular Weight374.42 g/mol
Exact Mass374.19
IUPAC Name2-[4-[1-(2-fluorophenyl)-5-methyltriazole-4-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide
SMILESCc1c(C(=O)N2CCN(CC(=O)N(C)C)CC2)nnn1-c1ccccc1F
InChIInChI=1S/C18H23FN6O2/c1-13-17(20-21-25(13)15-7-5-4-6-14(15)19)18(27)24-10-8-23(9-11-24)12-16(26)22(2)3/h4-7H,8-12H2,1-3H3
InChIKeySMTADJYLPBVWOX-UHFFFAOYSA-N
XLogP0.56
TPSA74.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(3-fluoro-2-methylphenyl)-5-methyltriazol-4-yl]-piperidin-1-ylmethanone
CID 53333518
1-(2-fluorophenyl)-N-methoxy-N,5-dimethyltriazole-4-carboxamide
CID 134518690
(4-ethylpiperazin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone
CID 134023843
1-[10-[1-(2-fluorophenyl)-5-methyltriazole-4-carbonyl]-2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-trien-2-yl]-3-methylbutan-1-one
CID 110074507
2-[4-[5-(2-fluorophenyl)furan-2-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 17438730
3-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one
CID 35611354
1-(2-fluorophenyl)-5-methyl-N-phenyltriazole-4-carboxamide
CID 2137590
N,N-diethyl-2-[4-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]-1,4-diazepan-1-yl]acetamide
CID 112820675
2-[4-(4-aminobenzoyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 60937139
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyltriazol-4-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 86903313
N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide chloride
CID 53346983
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 36846949

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2-fluorophenyl)-5-methyltriazole-4-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[1-(2-fluorophenyl)-5-methyltriazole-4-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide (CID 46957228) is 2-[4-[1-(2-fluorophenyl)-5-methyltriazole-4-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[1-(2-fluorophenyl)-5-methyltriazole-4-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[1-(2-fluorophenyl)-5-methyltriazole-4-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide is Cc1c(C(=O)N2CCN(CC(=O)N(C)C)CC2)nnn1-c1ccccc1F.
What is the InChIKey of 2-[4-[1-(2-fluorophenyl)-5-methyltriazole-4-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide?
The InChIKey is SMTADJYLPBVWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN6O2/c1-13-17(20-21-25(13)15-7-5-4-6-14(15)19)18(27)24-10-8-23(9-11-24)12-16(26)22(2)3/h4-7H,8-12H2,1-3H3.
What are the key properties of 2-[4-[1-(2-fluorophenyl)-5-methyltriazole-4-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide?
2-[4-[1-(2-fluorophenyl)-5-methyltriazole-4-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide has a molecular weight of 374.42 g/mol, XLogP of 0.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(2-fluorophenyl)-5-methyltriazole-4-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 46957228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).