N,N-diethyl-4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(3-methylphenyl)methyl]benzamide

C30H36FN3O — CID 67967833

IUPACN,N-diethyl-4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(3-methylphenyl)methyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(c2cccc(C)c2)N2CCN(Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C30H36FN3O/c1-4-33(5-2)30(35)26-13-11-25(12-14-26)29(27-8-6-7-23(3)21-27)34-19-17-32(18-20-34)22-24-9-15-28(31)16-10-24/h6-16,21,29H,4-5,17-20,22H2,1-3H3
InChIKeyQAININPKQGGSIF-UHFFFAOYSA-N
MW473.64 g/mol
LogP5.52
Rot. Bonds8

About N,N-diethyl-4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(3-methylphenyl)methyl]benzamide

N,N-diethyl-4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(3-methylphenyl)methyl]benzamide (PubChem CID 67967833) has the molecular formula C30H36FN3O and a molecular weight of 473.64 g/mol. Its IUPAC name is N,N-diethyl-4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(3-methylphenyl)methyl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(3-methylphenyl)methyl]benzamide
PubChem CID67967833
Molecular FormulaC30H36FN3O
Molecular Weight473.64 g/mol
Exact Mass473.28
IUPAC NameN,N-diethyl-4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(3-methylphenyl)methyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(c2cccc(C)c2)N2CCN(Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C30H36FN3O/c1-4-33(5-2)30(35)26-13-11-25(12-14-26)29(27-8-6-7-23(3)21-27)34-19-17-32(18-20-34)22-24-9-15-28(31)16-10-24/h6-16,21,29H,4-5,17-20,22H2,1-3H3
InChIKeyQAININPKQGGSIF-UHFFFAOYSA-N
XLogP5.52
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.64
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(4-benzylpiperazin-1-yl)-[4-(diethylcarbamoyl)phenyl]methyl]phenyl] N-methylcarbamate
CID 91059107
N,N-diethyl-4-[(R)-phenyl-(4-propylpiperazin-1-yl)methyl]benzamide
CID 173193948
N,N-diethyl-4-[(3-fluorophenyl)-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]methyl]benzamide
CID 57392492
4-[(R)-(3-aminophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N,N-diethylbenzamide
CID 10319981
[3-[[4-(diethylcarbamoyl)phenyl]-(4-ethylpiperazin-1-yl)methyl]phenyl] N-ethylcarbamate
CID 91007459
N,N-diethyl-4-[(4-methylphenyl)-piperazin-1-ylmethyl]benzamide
CID 10618862
4-[(4-acetylpiperazin-1-yl)-phenylmethyl]-N,N-diethylbenzamide
CID 10691980
4-[(S)-(3-aminophenyl)-(4-methylpiperazin-1-yl)methyl]-N,N-diethylbenzamide
CID 58664222
N,N-diethyl-4-[[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-(3-hydroxyphenyl)methyl]benzamide
CID 21025822
4-[(4-benzylpiperazin-1-yl)-quinolin-8-ylmethyl]-N,N-diethylbenzamide;dihydrochloride
CID 22677861
N,N-diethyl-4-[(R)-[4-(2-methoxyethyl)piperazin-1-yl]-[3-(propylamino)phenyl]methyl]benzamide
CID 10389834
[3-[(R)-[4-(diethylcarbamoyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]phenyl]-methylcarbamic acid
CID 67242524

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(3-methylphenyl)methyl]benzamide?
The IUPAC name of N,N-diethyl-4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(3-methylphenyl)methyl]benzamide (CID 67967833) is N,N-diethyl-4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(3-methylphenyl)methyl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(3-methylphenyl)methyl]benzamide?
The canonical SMILES for N,N-diethyl-4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(3-methylphenyl)methyl]benzamide is CCN(CC)C(=O)c1ccc(C(c2cccc(C)c2)N2CCN(Cc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N,N-diethyl-4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(3-methylphenyl)methyl]benzamide?
The InChIKey is QAININPKQGGSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36FN3O/c1-4-33(5-2)30(35)26-13-11-25(12-14-26)29(27-8-6-7-23(3)21-27)34-19-17-32(18-20-34)22-24-9-15-28(31)16-10-24/h6-16,21,29H,4-5,17-20,22H2,1-3H3.
What are the key properties of N,N-diethyl-4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(3-methylphenyl)methyl]benzamide?
N,N-diethyl-4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(3-methylphenyl)methyl]benzamide has a molecular weight of 473.64 g/mol, XLogP of 5.52, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(3-methylphenyl)methyl]benzamide is sourced from PubChem (CID 67967833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).