N-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-methylbenzamide

C26H34FN3O2 — CID 42710805

IUPACN-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N(CCN1CCN(C(=O)C(C)(C)C)CC1)Cc1ccc(F)cc1
InChIInChI=1S/C26H34FN3O2/c1-20-7-5-6-8-23(20)24(31)30(19-21-9-11-22(27)12-10-21)18-15-28-13-16-29(17-14-28)25(32)26(2,3)4/h5-12H,13-19H2,1-4H3
InChIKeyWESFUTNOUPBGDU-UHFFFAOYSA-N
MW439.58 g/mol
LogP3.97
Rot. Bonds6

About N-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-methylbenzamide

N-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-methylbenzamide (PubChem CID 42710805) has the molecular formula C26H34FN3O2 and a molecular weight of 439.58 g/mol. Its IUPAC name is N-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-methylbenzamide
PubChem CID42710805
Molecular FormulaC26H34FN3O2
Molecular Weight439.58 g/mol
Exact Mass439.26
IUPAC NameN-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N(CCN1CCN(C(=O)C(C)(C)C)CC1)Cc1ccc(F)cc1
InChIInChI=1S/C26H34FN3O2/c1-20-7-5-6-8-23(20)24(31)30(19-21-9-11-22(27)12-10-21)18-15-28-13-16-29(17-14-28)25(32)26(2,3)4/h5-12H,13-19H2,1-4H3
InChIKeyWESFUTNOUPBGDU-UHFFFAOYSA-N
XLogP3.97
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide
CID 42710155
N-[(4-fluorophenyl)methyl]-2-methyl-N-[2-[4-(4-phenylbenzoyl)piperazin-1-yl]ethyl]benzamide
CID 42710813
N-[(4-fluorophenyl)methyl]-2,2-dimethyl-N-(2-piperazin-1-ylethyl)propanamide
CID 42695374
N-[2-[4-(4-butylbenzoyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2,2-dimethylpropanamide
CID 42710143
N-[2-[4-(2-chloro-2-phenylacetyl)piperazin-1-yl]ethyl]-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 42710281
N-(2-bromophenyl)-4-[2-[(4-fluorophenyl)methyl-(4-methylbenzoyl)amino]ethyl]piperazine-1-carboxamide
CID 1061079
N-(2,6-dimethylphenyl)-4-[2-[(4-fluorophenyl)methyl-pentanoylamino]ethyl]piperazine-1-carboxamide
CID 42711009
4-[2-[cyclohexanecarbonyl-[(4-fluorophenyl)methyl]amino]ethyl]-N-(2-methylphenyl)piperazine-1-carboxamide
CID 42709601
N-[2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-4-methylbenzamide
CID 42709697
N-(4-ethylphenyl)-4-[2-[(4-fluorophenyl)methyl-(furan-2-carbonyl)amino]ethyl]piperazine-1-carboxamide
CID 42709871
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide
CID 42710174
4-[2-[(3-chlorophenyl)carbamoyl-[(4-fluorophenyl)methyl]amino]ethyl]-N-(2-methylphenyl)piperazine-1-carboxamide
CID 42709985

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-methylbenzamide?
The IUPAC name of N-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-methylbenzamide (CID 42710805) is N-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-methylbenzamide?
The canonical SMILES for N-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-methylbenzamide is Cc1ccccc1C(=O)N(CCN1CCN(C(=O)C(C)(C)C)CC1)Cc1ccc(F)cc1.
What is the InChIKey of N-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-methylbenzamide?
The InChIKey is WESFUTNOUPBGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN3O2/c1-20-7-5-6-8-23(20)24(31)30(19-21-9-11-22(27)12-10-21)18-15-28-13-16-29(17-14-28)25(32)26(2,3)4/h5-12H,13-19H2,1-4H3.
What are the key properties of N-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-methylbenzamide?
N-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-methylbenzamide has a molecular weight of 439.58 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-methylbenzamide is sourced from PubChem (CID 42710805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).