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

C14H20FN3O — CID 115178036

IUPACN-[(2-fluorophenyl)methyl]-N,4-dimethylpiperazine-2-carboxamide
SMILESCN1CCNC(C(=O)N(C)Cc2ccccc2F)C1
InChIInChI=1S/C14H20FN3O/c1-17-8-7-16-13(10-17)14(19)18(2)9-11-5-3-4-6-12(11)15/h3-6,13,16H,7-10H2,1-2H3
InChIKeyLYZQUHRNAFAPSA-UHFFFAOYSA-N
MW265.33 g/mol
LogP0.69
Rot. Bonds3

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

N-[(2-fluorophenyl)methyl]-N,4-dimethylpiperazine-2-carboxamide (PubChem CID 115178036) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N,4-dimethylpiperazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N,4-dimethylpiperazine-2-carboxamide
PubChem CID115178036
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC NameN-[(2-fluorophenyl)methyl]-N,4-dimethylpiperazine-2-carboxamide
SMILESCN1CCNC(C(=O)N(C)Cc2ccccc2F)C1
InChIInChI=1S/C14H20FN3O/c1-17-8-7-16-13(10-17)14(19)18(2)9-11-5-3-4-6-12(11)15/h3-6,13,16H,7-10H2,1-2H3
InChIKeyLYZQUHRNAFAPSA-UHFFFAOYSA-N
XLogP0.69
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-dimethyl-N-[(2-methylphenyl)methyl]piperazine-2-carboxamide
CID 115178034
N-[(2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 42890905
N-[(2-fluorophenyl)methyl]-N-methylthiomorpholine-3-carboxamide
CID 82905900
N,4-dimethyl-N-(2-phenylethyl)piperazine-2-carboxamide
CID 115178084
N-[(3-bromophenyl)methyl]-N,4-dimethylpiperazine-2-carboxamide
CID 115178038
2-(azetidin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 64616563
(2R,3S)-N-[(2-fluorophenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide
CID 120918482
2-(3-aminopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide;hydrochloride
CID 119917364
N,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-2-carboxamide
CID 115178047
N-[(2-fluorophenyl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43579164
N-[(2-fluorophenyl)methyl]-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 134012637
2-(2,5-dimethylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 64980761

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N,4-dimethylpiperazine-2-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N,4-dimethylpiperazine-2-carboxamide (CID 115178036) is N-[(2-fluorophenyl)methyl]-N,4-dimethylpiperazine-2-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N,4-dimethylpiperazine-2-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N,4-dimethylpiperazine-2-carboxamide is CN1CCNC(C(=O)N(C)Cc2ccccc2F)C1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N,4-dimethylpiperazine-2-carboxamide?
The InChIKey is LYZQUHRNAFAPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-17-8-7-16-13(10-17)14(19)18(2)9-11-5-3-4-6-12(11)15/h3-6,13,16H,7-10H2,1-2H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N,4-dimethylpiperazine-2-carboxamide?
N-[(2-fluorophenyl)methyl]-N,4-dimethylpiperazine-2-carboxamide has a molecular weight of 265.33 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N,4-dimethylpiperazine-2-carboxamide is sourced from PubChem (CID 115178036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).