2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone

C23H28FN3O — CID 34968318

IUPAC2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
SMILESCc1ccc(CN(CC(=O)N2CCN(c3ccccc3F)CC2)C2CC2)cc1
InChIInChI=1S/C23H28FN3O/c1-18-6-8-19(9-7-18)16-27(20-10-11-20)17-23(28)26-14-12-25(13-15-26)22-5-3-2-4-21(22)24/h2-9,20H,10-17H2,1H3
InChIKeyYKULPTCEWFOGOJ-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.45
Rot. Bonds6

About 2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone

2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone (PubChem CID 34968318) has the molecular formula C23H28FN3O and a molecular weight of 381.50 g/mol. Its IUPAC name is 2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
PubChem CID34968318
Molecular FormulaC23H28FN3O
Molecular Weight381.50 g/mol
Exact Mass381.22
IUPAC Name2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
SMILESCc1ccc(CN(CC(=O)N2CCN(c3ccccc3F)CC2)C2CC2)cc1
InChIInChI=1S/C23H28FN3O/c1-18-6-8-19(9-7-18)16-27(20-10-11-20)17-23(28)26-14-12-25(13-15-26)22-5-3-2-4-21(22)24/h2-9,20H,10-17H2,1H3
InChIKeyYKULPTCEWFOGOJ-UHFFFAOYSA-N
XLogP3.45
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113158364
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(4-methylphenyl)acetamide
CID 113167717
N-cycloheptyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113166319
N-[(2-fluorophenyl)methyl]-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methylbenzenesulfonamide
CID 2925890
4-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 27517573
2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 51224502
2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-methylamino]propanoic acid
CID 119912513
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[methyl(3-phenylpropyl)amino]ethanone
CID 60509956
3-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 55591126
2-(2,5-dimethylphenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 92681315
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N,2,5-trimethylbenzenesulfonamide
CID 100781113
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-1-one
CID 109014531

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone (CID 34968318) is 2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone is Cc1ccc(CN(CC(=O)N2CCN(c3ccccc3F)CC2)C2CC2)cc1.
What is the InChIKey of 2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The InChIKey is YKULPTCEWFOGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O/c1-18-6-8-19(9-7-18)16-27(20-10-11-20)17-23(28)26-14-12-25(13-15-26)22-5-3-2-4-21(22)24/h2-9,20H,10-17H2,1H3.
What are the key properties of 2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone has a molecular weight of 381.50 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 34968318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).