4-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide

C18H19F2N3O — CID 108898587

IUPAC4-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
SMILESO=C(NCc1cccc(F)c1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H19F2N3O/c19-15-5-3-4-14(12-15)13-21-18(24)23-10-8-22(9-11-23)17-7-2-1-6-16(17)20/h1-7,12H,8-11,13H2,(H,21,24)
InChIKeyAFCMCTMXZVKVKR-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.00
Rot. Bonds3

About 4-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide

4-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide (PubChem CID 108898587) has the molecular formula C18H19F2N3O and a molecular weight of 331.37 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
PubChem CID108898587
Molecular FormulaC18H19F2N3O
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name4-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
SMILESO=C(NCc1cccc(F)c1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H19F2N3O/c19-15-5-3-4-14(12-15)13-21-18(24)23-10-8-22(9-11-23)17-7-2-1-6-16(17)20/h1-7,12H,8-11,13H2,(H,21,24)
InChIKeyAFCMCTMXZVKVKR-UHFFFAOYSA-N
XLogP3.00
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 108898979
N-benzyl-4-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 113106624
4-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 27517573
4-(2-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]piperazine-1-carboxamide
CID 134006291
2-[4-[(3-fluorophenyl)methylcarbamoyl]piperazin-1-yl]acetic acid
CID 61196137
N-benzyl-4-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 155292939
4-(2-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 27534631
N-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 4987887
(4aS,5R)-3-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide
CID 93122937
N-benzyl-4-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
CID 113106639
1-N-[(3-fluorophenyl)methyl]piperidine-1,4-dicarboxamide
CID 47027642
4-(2-ethylphenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107645

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide (CID 108898587) is 4-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide is O=C(NCc1cccc(F)c1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 4-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide?
The InChIKey is AFCMCTMXZVKVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O/c19-15-5-3-4-14(12-15)13-21-18(24)23-10-8-22(9-11-23)17-7-2-1-6-16(17)20/h1-7,12H,8-11,13H2,(H,21,24).
What are the key properties of 4-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide?
4-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 108898587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).