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

C16H24FN3O — CID 113103771

IUPAC4-butyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
SMILESCCCCN1CCN(C(=O)NCc2ccccc2F)CC1
InChIInChI=1S/C16H24FN3O/c1-2-3-8-19-9-11-20(12-10-19)16(21)18-13-14-6-4-5-7-15(14)17/h4-7H,2-3,8-13H2,1H3,(H,18,21)
InChIKeyAZWJBXLVZPOLOA-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.45
Rot. Bonds5

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

4-butyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide (PubChem CID 113103771) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is 4-butyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
PubChem CID113103771
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name4-butyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
SMILESCCCCN1CCN(C(=O)NCc2ccccc2F)CC1
InChIInChI=1S/C16H24FN3O/c1-2-3-8-19-9-11-20(12-10-19)16(21)18-13-14-6-4-5-7-15(14)17/h4-7H,2-3,8-13H2,1H3,(H,18,21)
InChIKeyAZWJBXLVZPOLOA-UHFFFAOYSA-N
XLogP2.45
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,4-bis[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 27534923
N-[(2-fluorophenyl)methyl]-4-[2-(2-hydroxyethoxy)ethyl]piperazine-1-carboxamide
CID 119066622
N-[2-(2-fluorophenyl)ethyl]-4-propylpiperazine-1-carboxamide
CID 113103148
N-[(2-chlorophenyl)methyl]-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113107783
N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide
CID 108897499
N-[(2-methylphenyl)methyl]-4-propylpiperazine-1-carboxamide
CID 113103138
N-[(2-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 38946457
N-[(2-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27534875
(4-butylpiperazin-1-yl)-(2-fluorophenyl)methanone
CID 113072774
N-[2-(2-fluorophenyl)ethyl]-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113109022
4-butyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 17185767
4-cyclopentyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 38947749

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-butyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide (CID 113103771) is 4-butyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-butyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-butyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide is CCCCN1CCN(C(=O)NCc2ccccc2F)CC1.
What is the InChIKey of 4-butyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide?
The InChIKey is AZWJBXLVZPOLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-2-3-8-19-9-11-20(12-10-19)16(21)18-13-14-6-4-5-7-15(14)17/h4-7H,2-3,8-13H2,1H3,(H,18,21).
What are the key properties of 4-butyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide?
4-butyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide has a molecular weight of 293.39 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 113103771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).