N-(3-fluoro-4-methoxyphenyl)-5-methylpiperazine-2-carboxamide

C13H18FN3O2 — CID 63103656

IUPACN-(3-fluoro-4-methoxyphenyl)-5-methylpiperazine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CNC(C)CN2)cc1F
InChIInChI=1S/C13H18FN3O2/c1-8-6-16-11(7-15-8)13(18)17-9-3-4-12(19-2)10(14)5-9/h3-5,8,11,15-16H,6-7H2,1-2H3,(H,17,18)
InChIKeyKUNIUKXIUAVXPO-UHFFFAOYSA-N
MW267.30 g/mol
LogP0.72
Rot. Bonds3

About N-(3-fluoro-4-methoxyphenyl)-5-methylpiperazine-2-carboxamide

N-(3-fluoro-4-methoxyphenyl)-5-methylpiperazine-2-carboxamide (PubChem CID 63103656) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is N-(3-fluoro-4-methoxyphenyl)-5-methylpiperazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methoxyphenyl)-5-methylpiperazine-2-carboxamide
PubChem CID63103656
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC NameN-(3-fluoro-4-methoxyphenyl)-5-methylpiperazine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CNC(C)CN2)cc1F
InChIInChI=1S/C13H18FN3O2/c1-8-6-16-11(7-15-8)13(18)17-9-3-4-12(19-2)10(14)5-9/h3-5,8,11,15-16H,6-7H2,1-2H3,(H,17,18)
InChIKeyKUNIUKXIUAVXPO-UHFFFAOYSA-N
XLogP0.72
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluoro-4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 55151531
4-ethyl-N-(3-fluoro-4-methoxyphenyl)piperidine-2-carboxamide
CID 114428053
N-[4-(difluoromethoxy)phenyl]-5-methylpiperazine-2-carboxamide
CID 63102210
2-[(3-fluoro-4-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 43529188
N-(1,3-benzodioxol-5-yl)-5-methylpiperazine-2-carboxamide
CID 63103835
2-amino-N-(3-fluoro-4-methoxyphenyl)cyclohexane-1-carboxamide
CID 64822720
5-methyl-N-(3-sulfamoylphenyl)piperazine-2-carboxamide
CID 63101675
9-amino-N-(3-fluoro-4-methoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120986338
N-(4-fluoro-3-methoxyphenyl)-2-methylpiperidine-4-carboxamide
CID 106740759
N-(3-hydroxy-4-methoxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107434576
N-(3,4-difluorophenyl)-6-methylpiperidine-3-carboxamide
CID 24710588
N-(3,4-dimethoxyphenyl)-4-methylpiperidine-2-carboxamide
CID 114422606

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methoxyphenyl)-5-methylpiperazine-2-carboxamide?
The IUPAC name of N-(3-fluoro-4-methoxyphenyl)-5-methylpiperazine-2-carboxamide (CID 63103656) is N-(3-fluoro-4-methoxyphenyl)-5-methylpiperazine-2-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methoxyphenyl)-5-methylpiperazine-2-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methoxyphenyl)-5-methylpiperazine-2-carboxamide is COc1ccc(NC(=O)C2CNC(C)CN2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methoxyphenyl)-5-methylpiperazine-2-carboxamide?
The InChIKey is KUNIUKXIUAVXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-8-6-16-11(7-15-8)13(18)17-9-3-4-12(19-2)10(14)5-9/h3-5,8,11,15-16H,6-7H2,1-2H3,(H,17,18).
What are the key properties of N-(3-fluoro-4-methoxyphenyl)-5-methylpiperazine-2-carboxamide?
N-(3-fluoro-4-methoxyphenyl)-5-methylpiperazine-2-carboxamide has a molecular weight of 267.30 g/mol, XLogP of 0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methoxyphenyl)-5-methylpiperazine-2-carboxamide is sourced from PubChem (CID 63103656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).