N-[(2-fluorophenyl)methyl]-2,4-dimethylpiperazine-1-carboxamide

C14H20FN3O — CID 71877051

IUPACN-[(2-fluorophenyl)methyl]-2,4-dimethylpiperazine-1-carboxamide
SMILESCC1CN(C)CCN1C(=O)NCc1ccccc1F
InChIInChI=1S/C14H20FN3O/c1-11-10-17(2)7-8-18(11)14(19)16-9-12-5-3-4-6-13(12)15/h3-6,11H,7-10H2,1-2H3,(H,16,19)
InChIKeyAIAQGGPVIWPBNL-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.67
Rot. Bonds2

About N-[(2-fluorophenyl)methyl]-2,4-dimethylpiperazine-1-carboxamide

N-[(2-fluorophenyl)methyl]-2,4-dimethylpiperazine-1-carboxamide (PubChem CID 71877051) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2,4-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2,4-dimethylpiperazine-1-carboxamide
PubChem CID71877051
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC NameN-[(2-fluorophenyl)methyl]-2,4-dimethylpiperazine-1-carboxamide
SMILESCC1CN(C)CCN1C(=O)NCc1ccccc1F
InChIInChI=1S/C14H20FN3O/c1-11-10-17(2)7-8-18(11)14(19)16-9-12-5-3-4-6-13(12)15/h3-6,11H,7-10H2,1-2H3,(H,16,19)
InChIKeyAIAQGGPVIWPBNL-UHFFFAOYSA-N
XLogP1.67
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-benzhydryl-N-butylpiperazine-1-carboxamide
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CID 11840968
1-Benzylimidazolidin-2-one
CID 231403
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CID 2900185
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CID 1358608
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CID 40012125
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CID 10115592

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2,4-dimethylpiperazine-1-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2,4-dimethylpiperazine-1-carboxamide (CID 71877051) is N-[(2-fluorophenyl)methyl]-2,4-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2,4-dimethylpiperazine-1-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2,4-dimethylpiperazine-1-carboxamide is CC1CN(C)CCN1C(=O)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2,4-dimethylpiperazine-1-carboxamide?
The InChIKey is AIAQGGPVIWPBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-11-10-17(2)7-8-18(11)14(19)16-9-12-5-3-4-6-13(12)15/h3-6,11H,7-10H2,1-2H3,(H,16,19).
What are the key properties of N-[(2-fluorophenyl)methyl]-2,4-dimethylpiperazine-1-carboxamide?
N-[(2-fluorophenyl)methyl]-2,4-dimethylpiperazine-1-carboxamide has a molecular weight of 265.33 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2,4-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 71877051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).