N-butan-2-yl-4-(2-fluorophenyl)piperazine-1-carboxamide

C15H22FN3O — CID 4069653

IUPACN-butan-2-yl-4-(2-fluorophenyl)piperazine-1-carboxamide
SMILESCCC(C)NC(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C15H22FN3O/c1-3-12(2)17-15(20)19-10-8-18(9-11-19)14-7-5-4-6-13(14)16/h4-7,12H,3,8-11H2,1-2H3,(H,17,20)
InChIKeyVRWRQKRLDUPBSI-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.46
Rot. Bonds3

About N-butan-2-yl-4-(2-fluorophenyl)piperazine-1-carboxamide

N-butan-2-yl-4-(2-fluorophenyl)piperazine-1-carboxamide (PubChem CID 4069653) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is N-butan-2-yl-4-(2-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4-(2-fluorophenyl)piperazine-1-carboxamide
PubChem CID4069653
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC NameN-butan-2-yl-4-(2-fluorophenyl)piperazine-1-carboxamide
SMILESCCC(C)NC(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C15H22FN3O/c1-3-12(2)17-15(20)19-10-8-18(9-11-19)14-7-5-4-6-13(14)16/h4-7,12H,3,8-11H2,1-2H3,(H,17,20)
InChIKeyVRWRQKRLDUPBSI-UHFFFAOYSA-N
XLogP2.46
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113104407
N-butan-2-yl-4-(2-fluorophenyl)piperazine-1-carbothioamide
CID 23905679
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 42936420
N-benzhydryl-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 108867571
N-butan-2-yl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109102347
4-(2-fluorophenyl)-N-[1-(oxolan-3-yloxy)propan-2-yl]piperazine-1-carboxamide
CID 136513665
N-[1-(4-chlorophenoxy)ethyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 108880006
4-(2-fluorophenyl)-N-[1-(4-hydroxyphenoxy)ethyl]piperazine-1-carboxamide
CID 108871212
4-(2-fluorophenyl)-N-methoxypiperazine-1-carboxamide
CID 47139754
N-butan-2-yl-6-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpyrimidine-4-carboxamide
CID 109362561
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-sulfanylpropan-1-one
CID 107023626
N-[(2R)-butan-2-yl]-4-(5-chloro-2-methylphenyl)piperazine-1-carboxamide
CID 51386952

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(2-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-butan-2-yl-4-(2-fluorophenyl)piperazine-1-carboxamide (CID 4069653) is N-butan-2-yl-4-(2-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-butan-2-yl-4-(2-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-butan-2-yl-4-(2-fluorophenyl)piperazine-1-carboxamide is CCC(C)NC(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of N-butan-2-yl-4-(2-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is VRWRQKRLDUPBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-3-12(2)17-15(20)19-10-8-18(9-11-19)14-7-5-4-6-13(14)16/h4-7,12H,3,8-11H2,1-2H3,(H,17,20).
What are the key properties of N-butan-2-yl-4-(2-fluorophenyl)piperazine-1-carboxamide?
N-butan-2-yl-4-(2-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 279.36 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(2-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 4069653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).