2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one

C19H26ClF3N4O2 — CID 4968390

IUPAC2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
SMILESCC1CN(C(=O)C(C)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC(C)O1
InChIInChI=1S/C19H26ClF3N4O2/c1-12-10-27(11-13(2)29-12)18(28)14(3)25-4-6-26(7-5-25)17-16(20)8-15(9-24-17)19(21,22)23/h8-9,12-14H,4-7,10-11H2,1-3H3
InChIKeySTSYDKZAZRNIJR-UHFFFAOYSA-N
MW434.89 g/mol
LogP2.90
Rot. Bonds3

About 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one

2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one (PubChem CID 4968390) has the molecular formula C19H26ClF3N4O2 and a molecular weight of 434.89 g/mol. Its IUPAC name is 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
PubChem CID4968390
Molecular FormulaC19H26ClF3N4O2
Molecular Weight434.89 g/mol
Exact Mass434.17
IUPAC Name2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
SMILESCC1CN(C(=O)C(C)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC(C)O1
InChIInChI=1S/C19H26ClF3N4O2/c1-12-10-27(11-13(2)29-12)18(28)14(3)25-4-6-26(7-5-25)17-16(20)8-15(9-24-17)19(21,22)23/h8-9,12-14H,4-7,10-11H2,1-3H3
InChIKeySTSYDKZAZRNIJR-UHFFFAOYSA-N
XLogP2.90
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.89
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Sar405
CID 72709209
4-{4-[4-(3-Chloro-pyridin-2-yl)-piperazin-1-yl]-butyl}-morpholine-3,5-dione
CID 13771037
2-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-methylpropanamide
CID 1478431
[5-({[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolyl](morpholino)methanone
CID 2765114
Ethyl 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate
CID 4024930
N-(tert-butylcarbamoyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 5701540
1-{4-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-2-(methylamino)ethan-1-one hydrochloride
CID 16195952
{1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-4-piperidinyl}(4-methylpiperazino)methanone
CID 2766912
N-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}acetamide
CID 2767087
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-hydroxyethyl)-N-methyl-4-piperidinecarboxamide
CID 2773877
5-[(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}ethyl)amino]-2,4(1H,3H)-pyrimidinedione
CID 3652602
1,2-Bis{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-1-ethanone
CID 3695829

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
The IUPAC name of 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one (CID 4968390) is 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one is CC1CN(C(=O)C(C)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC(C)O1.
What is the InChIKey of 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
The InChIKey is STSYDKZAZRNIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClF3N4O2/c1-12-10-27(11-13(2)29-12)18(28)14(3)25-4-6-26(7-5-25)17-16(20)8-15(9-24-17)19(21,22)23/h8-9,12-14H,4-7,10-11H2,1-3H3.
What are the key properties of 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one has a molecular weight of 434.89 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 4968390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).