N-(3-fluorophenyl)-4-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide

C19H22FN3O2 — CID 113113817

IUPACN-(3-fluorophenyl)-4-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(C)cc1N1CCN(C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C19H22FN3O2/c1-14-6-7-18(25-2)17(12-14)22-8-10-23(11-9-22)19(24)21-16-5-3-4-15(20)13-16/h3-7,12-13H,8-11H2,1-2H3,(H,21,24)
InChIKeyGWXOHHPCCMNXPB-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.50
Rot. Bonds3

About N-(3-fluorophenyl)-4-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide

N-(3-fluorophenyl)-4-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide (PubChem CID 113113817) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
PubChem CID113113817
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC NameN-(3-fluorophenyl)-4-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(C)cc1N1CCN(C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C19H22FN3O2/c1-14-6-7-18(25-2)17(12-14)22-8-10-23(11-9-22)19(24)21-16-5-3-4-15(20)13-16/h3-7,12-13H,8-11H2,1-2H3,(H,21,24)
InChIKeyGWXOHHPCCMNXPB-UHFFFAOYSA-N
XLogP3.50
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methoxy-5-methylphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113111363
N-(4-tert-butylphenyl)-4-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113112691
N-(4-chloro-2-methylphenyl)-4-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113113209
4-(5-chloro-2-methoxyphenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113113441
4-(3,4-dimethylphenyl)-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 113111648
4-(5-chloro-2-methoxyphenyl)-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 113112777
N-(3-chloro-4-fluorophenyl)-4-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide
CID 113113341
N-(3-iodophenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 3347580
4-[(5-chloro-2-methoxyphenyl)methyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 17148906
N-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide
CID 113111056
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622
4-[2-(2-methoxy-5-methylphenyl)acetyl]-N-phenylpiperazine-1-carboxamide
CID 110812902

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-4-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide (CID 113113817) is N-(3-fluorophenyl)-4-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-4-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide is COc1ccc(C)cc1N1CCN(C(=O)Nc2cccc(F)c2)CC1.
What is the InChIKey of N-(3-fluorophenyl)-4-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide?
The InChIKey is GWXOHHPCCMNXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-14-6-7-18(25-2)17(12-14)22-8-10-23(11-9-22)19(24)21-16-5-3-4-15(20)13-16/h3-7,12-13H,8-11H2,1-2H3,(H,21,24).
What are the key properties of N-(3-fluorophenyl)-4-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide?
N-(3-fluorophenyl)-4-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide has a molecular weight of 343.40 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113113817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).