N-(2-fluorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide

C20H24FN3O — CID 113110111

IUPACN-(2-fluorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1F)N1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C20H24FN3O/c21-18-10-4-5-11-19(18)22-20(25)24-15-13-23(14-16-24)12-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-11H,6,9,12-16H2,(H,22,25)
InChIKeyMBXGOHZGDCFDJD-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.61
Rot. Bonds5

About N-(2-fluorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide

N-(2-fluorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide (PubChem CID 113110111) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
PubChem CID113110111
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC NameN-(2-fluorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1F)N1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C20H24FN3O/c21-18-10-4-5-11-19(18)22-20(25)24-15-13-23(14-16-24)12-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-11H,6,9,12-16H2,(H,22,25)
InChIKeyMBXGOHZGDCFDJD-UHFFFAOYSA-N
XLogP3.61
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyanophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110160
N-(4-chlorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110115
N-[2-(2-fluorophenyl)ethyl]-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113109022
4-(3-phenylpropyl)-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113110129
4-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 17456278
N-(5-chloro-2-methoxyphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110122
4-(3-phenylpropyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113110107
(2R)-N-(2-fluorophenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]propanamide
CID 30724639
N-(3,4-dimethylphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110099
N-(2-fluorophenyl)-4-(2-hydroxy-2-methylpropyl)piperazine-1-carboxamide
CID 62885016
N-(2-fluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 6466016
N-[4-(diethylamino)phenyl]-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110145

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide (CID 113110111) is N-(2-fluorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide is O=C(Nc1ccccc1F)N1CCN(CCCc2ccccc2)CC1.
What is the InChIKey of N-(2-fluorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide?
The InChIKey is MBXGOHZGDCFDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c21-18-10-4-5-11-19(18)22-20(25)24-15-13-23(14-16-24)12-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-11H,6,9,12-16H2,(H,22,25).
What are the key properties of N-(2-fluorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide?
N-(2-fluorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide has a molecular weight of 341.43 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 113110111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).