4-[4,4-bis(4-fluorophenyl)butyl]piperazine-2-carboxamide

C21H25F2N3O — CID 14230271

IUPAC4-[4,4-bis(4-fluorophenyl)butyl]piperazine-2-carboxamide
SMILESNC(=O)C1CN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CCN1
InChIInChI=1S/C21H25F2N3O/c22-17-7-3-15(4-8-17)19(16-5-9-18(23)10-6-16)2-1-12-26-13-11-25-20(14-26)21(24)27/h3-10,19-20,25H,1-2,11-14H2,(H2,24,27)
InChIKeyZOQMOZXKIYOPHM-UHFFFAOYSA-N
MW373.45 g/mol
LogP2.64
Rot. Bonds7

About 4-[4,4-bis(4-fluorophenyl)butyl]piperazine-2-carboxamide

4-[4,4-bis(4-fluorophenyl)butyl]piperazine-2-carboxamide (PubChem CID 14230271) has the molecular formula C21H25F2N3O and a molecular weight of 373.45 g/mol. Its IUPAC name is 4-[4,4-bis(4-fluorophenyl)butyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name4-[4,4-bis(4-fluorophenyl)butyl]piperazine-2-carboxamide
PubChem CID14230271
Molecular FormulaC21H25F2N3O
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name4-[4,4-bis(4-fluorophenyl)butyl]piperazine-2-carboxamide
SMILESNC(=O)C1CN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CCN1
InChIInChI=1S/C21H25F2N3O/c22-17-7-3-15(4-8-17)19(16-5-9-18(23)10-6-16)2-1-12-26-13-11-25-20(14-26)21(24)27/h3-10,19-20,25H,1-2,11-14H2,(H2,24,27)
InChIKeyZOQMOZXKIYOPHM-UHFFFAOYSA-N
XLogP2.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5,5-bis(4-fluorophenyl)pentyl]piperazine-2-carboxamide;hydrate
CID 19828441
5-[4,4-bis(4-fluorophenyl)butyl]-1,2,5-triazepane;dihydrochloride
CID 21277222
4-[4,4-bis(4-fluorophenyl)butyl]-N-methylpiperazine-1-carboxamide
CID 57059266
1-[5,5-bis(4-fluorophenyl)pentyl]piperazine-2-carboxamide
CID 15087729
4-[4,4-bis(4-fluorophenyl)butyl]-1-phenylpiperazin-1-ium-1-carboxamide;hydrochloride
CID 70515531
2-[4,4-bis(4-fluorophenyl)butyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;bis((Z)-but-2-enedioic acid)
CID 5344757
(8aS)-2-[4,4-bis(4-fluorophenyl)butyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 1356088
4-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]benzoic acid
CID 22180536
2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridine-3-carboxamide
CID 10026785
2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]ethyl acetate;bis((E)-but-2-enedioic acid)
CID 6446930
7-[4,4-bis(4-fluorophenyl)butyl]-2,3,3-trimethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-1-one
CID 21295649
1-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-3-(2,6-dimethylphenyl)propan-2-one
CID 134832953

Frequently Asked Questions

What is the IUPAC name of 4-[4,4-bis(4-fluorophenyl)butyl]piperazine-2-carboxamide?
The IUPAC name of 4-[4,4-bis(4-fluorophenyl)butyl]piperazine-2-carboxamide (CID 14230271) is 4-[4,4-bis(4-fluorophenyl)butyl]piperazine-2-carboxamide.
What is the SMILES notation for 4-[4,4-bis(4-fluorophenyl)butyl]piperazine-2-carboxamide?
The canonical SMILES for 4-[4,4-bis(4-fluorophenyl)butyl]piperazine-2-carboxamide is NC(=O)C1CN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CCN1.
What is the InChIKey of 4-[4,4-bis(4-fluorophenyl)butyl]piperazine-2-carboxamide?
The InChIKey is ZOQMOZXKIYOPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N3O/c22-17-7-3-15(4-8-17)19(16-5-9-18(23)10-6-16)2-1-12-26-13-11-25-20(14-26)21(24)27/h3-10,19-20,25H,1-2,11-14H2,(H2,24,27).
What are the key properties of 4-[4,4-bis(4-fluorophenyl)butyl]piperazine-2-carboxamide?
4-[4,4-bis(4-fluorophenyl)butyl]piperazine-2-carboxamide has a molecular weight of 373.45 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,4-bis(4-fluorophenyl)butyl]piperazine-2-carboxamide is sourced from PubChem (CID 14230271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).