4-[(2-fluorophenyl)methyl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide

C21H26FN3O2 — CID 113107411

IUPAC4-[(2-fluorophenyl)methyl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)N2CCN(Cc3ccccc3F)CC2)cc1
InChIInChI=1S/C21H26FN3O2/c1-16(2)27-19-9-7-18(8-10-19)23-21(26)25-13-11-24(12-14-25)15-17-5-3-4-6-20(17)22/h3-10,16H,11-15H2,1-2H3,(H,23,26)
InChIKeyAZXWUAJQNAETQP-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.96
Rot. Bonds5

About 4-[(2-fluorophenyl)methyl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide

4-[(2-fluorophenyl)methyl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide (PubChem CID 113107411) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methyl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methyl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
PubChem CID113107411
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name4-[(2-fluorophenyl)methyl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)N2CCN(Cc3ccccc3F)CC2)cc1
InChIInChI=1S/C21H26FN3O2/c1-16(2)27-19-9-7-18(8-10-19)23-21(26)25-13-11-24(12-14-25)15-17-5-3-4-6-20(17)22/h3-10,16H,11-15H2,1-2H3,(H,23,26)
InChIKeyAZXWUAJQNAETQP-UHFFFAOYSA-N
XLogP3.96
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-fluorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 35766423
4-[(2-fluorophenyl)methyl]-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113107426
4-[2-(2-fluorophenyl)ethyl]-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113108978
4-(1,3-benzodioxol-5-ylmethyl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 108989994
N-(4-chlorophenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 110412057
N-(4-acetylphenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113108987
1-[(2-fluorophenyl)methyl]-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine
CID 113074094
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 15993712
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107431
N,4-bis[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 27534923
N-[2-(2-fluorophenyl)ethyl]-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113109055
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-phenylpropanamide
CID 46802310

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methyl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(2-fluorophenyl)methyl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide (CID 113107411) is 4-[(2-fluorophenyl)methyl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(2-fluorophenyl)methyl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(2-fluorophenyl)methyl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide is CC(C)Oc1ccc(NC(=O)N2CCN(Cc3ccccc3F)CC2)cc1.
What is the InChIKey of 4-[(2-fluorophenyl)methyl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The InChIKey is AZXWUAJQNAETQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-16(2)27-19-9-7-18(8-10-19)23-21(26)25-13-11-24(12-14-25)15-17-5-3-4-6-20(17)22/h3-10,16H,11-15H2,1-2H3,(H,23,26).
What are the key properties of 4-[(2-fluorophenyl)methyl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide?
4-[(2-fluorophenyl)methyl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methyl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113107411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).