2-[(R)-(4-chlorophenyl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-2-methyl-3-oxopiperazine-1-carboxamide

C20H26ClF3N4O2 — CID 166045456

IUPAC2-[(R)-(4-chlorophenyl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-2-methyl-3-oxopiperazine-1-carboxamide
SMILESCC1([C@@H](c2ccc(Cl)cc2)C2CCN(CC(F)(F)F)CC2)C(=O)NCCN1C(N)=O
InChIInChI=1S/C20H26ClF3N4O2/c1-19(17(29)26-8-11-28(19)18(25)30)16(13-2-4-15(21)5-3-13)14-6-9-27(10-7-14)12-20(22,23)24/h2-5,14,16H,6-12H2,1H3,(H2,25,30)(H,26,29)/t16-,19?/m0/s1
InChIKeyADNBPODNXFBFTM-UCFFOFKASA-N
MW446.90 g/mol
LogP2.97
Rot. Bonds4

About 2-[(R)-(4-chlorophenyl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-2-methyl-3-oxopiperazine-1-carboxamide

2-[(R)-(4-chlorophenyl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-2-methyl-3-oxopiperazine-1-carboxamide (PubChem CID 166045456) has the molecular formula C20H26ClF3N4O2 and a molecular weight of 446.90 g/mol. Its IUPAC name is 2-[(R)-(4-chlorophenyl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-2-methyl-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name2-[(R)-(4-chlorophenyl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-2-methyl-3-oxopiperazine-1-carboxamide
PubChem CID166045456
Molecular FormulaC20H26ClF3N4O2
Molecular Weight446.90 g/mol
Exact Mass446.17
IUPAC Name2-[(R)-(4-chlorophenyl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-2-methyl-3-oxopiperazine-1-carboxamide
SMILESCC1([C@@H](c2ccc(Cl)cc2)C2CCN(CC(F)(F)F)CC2)C(=O)NCCN1C(N)=O
InChIInChI=1S/C20H26ClF3N4O2/c1-19(17(29)26-8-11-28(19)18(25)30)16(13-2-4-15(21)5-3-13)14-6-9-27(10-7-14)12-20(22,23)24/h2-5,14,16H,6-12H2,1H3,(H2,25,30)(H,26,29)/t16-,19?/m0/s1
InChIKeyADNBPODNXFBFTM-UCFFOFKASA-N
XLogP2.97
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.90
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(R)-(4-chlorophenyl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-2-methyl-3-oxopiperazine-1-carboxamide with MolForge

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Related Compounds

2-[(S)-(3-chloro-2,4-difluorophenyl)-[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-3-oxopiperazine-1-carboxamide
CID 166045409
N-[(3-chloro-4-fluorophenyl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-2-methyl-3-oxopiperazine-1-carboxamide
CID 167192191
2-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-ethyl-3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine;hydroiodide
CID 111997676
2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]acetic acid
CID 119135422
(2R)-2-hydroxy-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide
CID 129489847
N-[1-(4-fluorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43766678
2-[6-[bis(4-chlorophenyl)methyl]-2-oxo-4-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]quinolin-1-yl]acetamide
CID 158254602
1-[2-[(1S)-1-(4-chlorophenyl)ethyl]sulfanylacetyl]imidazolidin-2-one
CID 94217685
methyl 2-amino-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetate
CID 166176346
(2R)-2-(4-chlorophenyl)-3-(4-fluoropiperidin-1-yl)propanamide
CID 67518927
N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 86991814
4-[3-(4-chlorophenyl)prop-2-enoyl]-3,3-dimethylpiperazin-2-one
CID 76995491

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-(4-chlorophenyl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-2-methyl-3-oxopiperazine-1-carboxamide?
The IUPAC name of 2-[(R)-(4-chlorophenyl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-2-methyl-3-oxopiperazine-1-carboxamide (CID 166045456) is 2-[(R)-(4-chlorophenyl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-2-methyl-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for 2-[(R)-(4-chlorophenyl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-2-methyl-3-oxopiperazine-1-carboxamide?
The canonical SMILES for 2-[(R)-(4-chlorophenyl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-2-methyl-3-oxopiperazine-1-carboxamide is CC1([C@@H](c2ccc(Cl)cc2)C2CCN(CC(F)(F)F)CC2)C(=O)NCCN1C(N)=O.
What is the InChIKey of 2-[(R)-(4-chlorophenyl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-2-methyl-3-oxopiperazine-1-carboxamide?
The InChIKey is ADNBPODNXFBFTM-UCFFOFKASA-N. The full InChI is InChI=1S/C20H26ClF3N4O2/c1-19(17(29)26-8-11-28(19)18(25)30)16(13-2-4-15(21)5-3-13)14-6-9-27(10-7-14)12-20(22,23)24/h2-5,14,16H,6-12H2,1H3,(H2,25,30)(H,26,29)/t16-,19?/m0/s1.
What are the key properties of 2-[(R)-(4-chlorophenyl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-2-methyl-3-oxopiperazine-1-carboxamide?
2-[(R)-(4-chlorophenyl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-2-methyl-3-oxopiperazine-1-carboxamide has a molecular weight of 446.90 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-(4-chlorophenyl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-2-methyl-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 166045456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).