1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide

C24H27ClF3N5O — CID 55779683

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide
SMILESCN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C24H27ClF3N5O/c1-31(2)11-12-33(16-18-5-3-17(14-29)4-6-18)23(34)19-7-9-32(10-8-19)22-21(25)13-20(15-30-22)24(26,27)28/h3-6,13,15,19H,7-12,16H2,1-2H3
InChIKeyPDGGXTZCOMQGBG-UHFFFAOYSA-N
MW493.96 g/mol
LogP4.43
Rot. Bonds7

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide (PubChem CID 55779683) has the molecular formula C24H27ClF3N5O and a molecular weight of 493.96 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide
PubChem CID55779683
Molecular FormulaC24H27ClF3N5O
Molecular Weight493.96 g/mol
Exact Mass493.19
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide
SMILESCN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C24H27ClF3N5O/c1-31(2)11-12-33(16-18-5-3-17(14-29)4-6-18)23(34)19-7-9-32(10-8-19)22-21(25)13-20(15-30-22)24(26,27)28/h3-6,13,15,19H,7-12,16H2,1-2H3
InChIKeyPDGGXTZCOMQGBG-UHFFFAOYSA-N
XLogP4.43
TPSA63.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.96
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-benzyl-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 37428901
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 55550553
4-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]benzonitrile
CID 8908387
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclopropyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 55408767
N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 112827867
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 27774368
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methyl-N-[3-(2-methylphenoxy)propyl]piperidine-4-carboxamide
CID 55898448
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[4-(piperidine-1-carbonyl)piperidin-1-yl]methanone
CID 112767126
methyl 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
CID 2775349
N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N,2-dimethylpropanamide
CID 110208949
2-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]amino]-2-methylpropanoic acid
CID 120515805
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-cyanophenyl)sulfonylpiperidine-4-carboxamide
CID 112839154

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide (CID 55779683) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide is CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide?
The InChIKey is PDGGXTZCOMQGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClF3N5O/c1-31(2)11-12-33(16-18-5-3-17(14-29)4-6-18)23(34)19-7-9-32(10-8-19)22-21(25)13-20(15-30-22)24(26,27)28/h3-6,13,15,19H,7-12,16H2,1-2H3.
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide has a molecular weight of 493.96 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 55779683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).