2-[(2-fluorophenyl)methyl-methylamino]-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]acetamide

C20H31FN4O — CID 118766740

IUPAC2-[(2-fluorophenyl)methyl-methylamino]-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]acetamide
SMILESCN1CCN(CC2(CNC(=O)CN(C)Cc3ccccc3F)CC2)CC1
InChIInChI=1S/C20H31FN4O/c1-23-9-11-25(12-10-23)16-20(7-8-20)15-22-19(26)14-24(2)13-17-5-3-4-6-18(17)21/h3-6H,7-16H2,1-2H3,(H,22,26)
InChIKeyXRKLVNZISXGKBC-UHFFFAOYSA-N
MW362.49 g/mol
LogP1.40
Rot. Bonds8

About 2-[(2-fluorophenyl)methyl-methylamino]-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]acetamide

2-[(2-fluorophenyl)methyl-methylamino]-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]acetamide (PubChem CID 118766740) has the molecular formula C20H31FN4O and a molecular weight of 362.49 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl-methylamino]-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl-methylamino]-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]acetamide
PubChem CID118766740
Molecular FormulaC20H31FN4O
Molecular Weight362.49 g/mol
Exact Mass362.25
IUPAC Name2-[(2-fluorophenyl)methyl-methylamino]-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]acetamide
SMILESCN1CCN(CC2(CNC(=O)CN(C)Cc3ccccc3F)CC2)CC1
InChIInChI=1S/C20H31FN4O/c1-23-9-11-25(12-10-23)16-20(7-8-20)15-22-19(26)14-24(2)13-17-5-3-4-6-18(17)21/h3-6H,7-16H2,1-2H3,(H,22,26)
InChIKeyXRKLVNZISXGKBC-UHFFFAOYSA-N
XLogP1.40
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.49
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 90649232
N-ethyl-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 78791355
2-[(2-fluorophenyl)methyl-methylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 87013271
N-(2-cyanoethyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 18124298
2-[[2-[(2-fluorophenyl)methyl-methylamino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9034646
2-[(2-fluorophenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 47006721
1-(azepan-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone
CID 78791327
N-[(2-fluorophenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 8804591
N-(3-acetylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 9034829
N-ethyl-2-[(3-fluoro-2-hydroxyphenyl)methyl-methylamino]acetamide
CID 112616212
2-[(2-fluorophenyl)methyl-methylamino]-1-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)ethanone
CID 91831609
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 91787380

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl-methylamino]-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]acetamide?
The IUPAC name of 2-[(2-fluorophenyl)methyl-methylamino]-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]acetamide (CID 118766740) is 2-[(2-fluorophenyl)methyl-methylamino]-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]acetamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl-methylamino]-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]acetamide?
The canonical SMILES for 2-[(2-fluorophenyl)methyl-methylamino]-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]acetamide is CN1CCN(CC2(CNC(=O)CN(C)Cc3ccccc3F)CC2)CC1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl-methylamino]-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]acetamide?
The InChIKey is XRKLVNZISXGKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31FN4O/c1-23-9-11-25(12-10-23)16-20(7-8-20)15-22-19(26)14-24(2)13-17-5-3-4-6-18(17)21/h3-6H,7-16H2,1-2H3,(H,22,26).
What are the key properties of 2-[(2-fluorophenyl)methyl-methylamino]-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]acetamide?
2-[(2-fluorophenyl)methyl-methylamino]-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]acetamide has a molecular weight of 362.49 g/mol, XLogP of 1.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl-methylamino]-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]acetamide is sourced from PubChem (CID 118766740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).