N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide

C19H26ClF3N4O — CID 86959417

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide
SMILESCN1CCCC(N2CCN(CC(=O)Nc3ccc(Cl)cc3C(F)(F)F)CC2)C1
InChIInChI=1S/C19H26ClF3N4O/c1-25-6-2-3-15(12-25)27-9-7-26(8-10-27)13-18(28)24-17-5-4-14(20)11-16(17)19(21,22)23/h4-5,11,15H,2-3,6-10,12-13H2,1H3,(H,24,28)
InChIKeyJYSKOFCHNNMKTB-UHFFFAOYSA-N
MW418.89 g/mol
LogP3.01
Rot. Bonds4

About N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide (PubChem CID 86959417) has the molecular formula C19H26ClF3N4O and a molecular weight of 418.89 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide
PubChem CID86959417
Molecular FormulaC19H26ClF3N4O
Molecular Weight418.89 g/mol
Exact Mass418.17
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide
SMILESCN1CCCC(N2CCN(CC(=O)Nc3ccc(Cl)cc3C(F)(F)F)CC2)C1
InChIInChI=1S/C19H26ClF3N4O/c1-25-6-2-3-15(12-25)27-9-7-26(8-10-27)13-18(28)24-17-5-4-14(20)11-16(17)19(21,22)23/h4-5,11,15H,2-3,6-10,12-13H2,1H3,(H,24,28)
InChIKeyJYSKOFCHNNMKTB-UHFFFAOYSA-N
XLogP3.01
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.89
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 29157692
N-(2-iodophenyl)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide
CID 86959463
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 4840176
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 109017439
2-(4-benzoylpiperazin-1-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 31375697
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]acetamide
CID 87019468
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 31129710
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944475
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]acetamide
CID 97076693
2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 146132057
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(4-cyanophenyl)-1,4-diazepan-1-yl]acetamide
CID 55851212
N-(5-chloro-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 8896475

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide (CID 86959417) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide is CN1CCCC(N2CCN(CC(=O)Nc3ccc(Cl)cc3C(F)(F)F)CC2)C1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide?
The InChIKey is JYSKOFCHNNMKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClF3N4O/c1-25-6-2-3-15(12-25)27-9-7-26(8-10-27)13-18(28)24-17-5-4-14(20)11-16(17)19(21,22)23/h4-5,11,15H,2-3,6-10,12-13H2,1H3,(H,24,28).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide has a molecular weight of 418.89 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 86959417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).