N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylbenzamide

C20H24FN3O — CID 42266695

IUPACN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C20H24FN3O/c1-16-3-2-4-17(15-16)20(25)22-9-10-23-11-13-24(14-12-23)19-7-5-18(21)6-8-19/h2-8,15H,9-14H2,1H3,(H,22,25)
InChIKeyUYLGJXBLGFACLV-UHFFFAOYSA-N
MW341.43 g/mol
LogP2.69
Rot. Bonds5

About N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylbenzamide

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylbenzamide (PubChem CID 42266695) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylbenzamide
PubChem CID42266695
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C20H24FN3O/c1-16-3-2-4-17(15-16)20(25)22-9-10-23-11-13-24(14-12-23)19-7-5-18(21)6-8-19/h2-8,15H,9-14H2,1H3,(H,22,25)
InChIKeyUYLGJXBLGFACLV-UHFFFAOYSA-N
XLogP2.69
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266643
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266693
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885244
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2,6-dimethoxybenzamide
CID 42266552
3-methyl-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride
CID 126477808
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-3,5-dimethylbenzamide
CID 42267000
N-[2-[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-3-methylbenzamide
CID 44897023
N-[3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 55657688
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(phenylcarbamoylamino)benzamide
CID 39052757
4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885248
2-(4-fluorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 42266590
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 46410385

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylbenzamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylbenzamide (CID 42266695) is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylbenzamide is Cc1cccc(C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)c1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylbenzamide?
The InChIKey is UYLGJXBLGFACLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c1-16-3-2-4-17(15-16)20(25)22-9-10-23-11-13-24(14-12-23)19-7-5-18(21)6-8-19/h2-8,15H,9-14H2,1H3,(H,22,25).
What are the key properties of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylbenzamide?
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylbenzamide has a molecular weight of 341.43 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylbenzamide is sourced from PubChem (CID 42266695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).