N-[cyclopropyl-(4-methylphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide

C23H28FN3O — CID 55524481

IUPACN-[cyclopropyl-(4-methylphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
SMILESCc1ccc(C(NC(=O)CN2CCN(c3ccccc3F)CC2)C2CC2)cc1
InChIInChI=1S/C23H28FN3O/c1-17-6-8-18(9-7-17)23(19-10-11-19)25-22(28)16-26-12-14-27(15-13-26)21-5-3-2-4-20(21)24/h2-9,19,23H,10-16H2,1H3,(H,25,28)
InChIKeyNXHNTTSCNYZKSP-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.52
Rot. Bonds6

About N-[cyclopropyl-(4-methylphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide

N-[cyclopropyl-(4-methylphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide (PubChem CID 55524481) has the molecular formula C23H28FN3O and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methylphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methylphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
PubChem CID55524481
Molecular FormulaC23H28FN3O
Molecular Weight381.50 g/mol
Exact Mass381.22
IUPAC NameN-[cyclopropyl-(4-methylphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
SMILESCc1ccc(C(NC(=O)CN2CCN(c3ccccc3F)CC2)C2CC2)cc1
InChIInChI=1S/C23H28FN3O/c1-17-6-8-18(9-7-17)23(19-10-11-19)25-22(28)16-26-12-14-27(15-13-26)21-5-3-2-4-20(21)24/h2-9,19,23H,10-16H2,1H3,(H,25,28)
InChIKeyNXHNTTSCNYZKSP-UHFFFAOYSA-N
XLogP3.52
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
CID 46558763
2-(azepan-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
CID 46526961
N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide
CID 33417803
1-[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 119907923
N-(2,6-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 27150835
2-[4-(2-fluorophenyl)piperazin-1-yl]acetohydrazide
CID 63570220
2-(4-cyclohexyloxypiperidin-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
CID 86873908
N-[cyclopropyl-(4-methylphenyl)methyl]-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetamide
CID 55830599
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 98750861
N-cyclohexyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 859123
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 98750819
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 60512330

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide (CID 55524481) is N-[cyclopropyl-(4-methylphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[cyclopropyl-(4-methylphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[cyclopropyl-(4-methylphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide is Cc1ccc(C(NC(=O)CN2CCN(c3ccccc3F)CC2)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-methylphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide?
The InChIKey is NXHNTTSCNYZKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O/c1-17-6-8-18(9-7-17)23(19-10-11-19)25-22(28)16-26-12-14-27(15-13-26)21-5-3-2-4-20(21)24/h2-9,19,23H,10-16H2,1H3,(H,25,28).
What are the key properties of N-[cyclopropyl-(4-methylphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide?
N-[cyclopropyl-(4-methylphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide has a molecular weight of 381.50 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methylphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 55524481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).