N-methyl-6-oxo-N-(pyridin-2-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

C21H22F3N3O2 — CID 24817271

IUPACN-methyl-6-oxo-N-(pyridin-2-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCN(Cc1ccccn1)C(=O)C1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C21H22F3N3O2/c1-26(14-18-7-2-3-10-25-18)20(29)16-8-9-19(28)27(13-16)12-15-5-4-6-17(11-15)21(22,23)24/h2-7,10-11,16H,8-9,12-14H2,1H3
InChIKeyAPYPPBGRZBVHHS-UHFFFAOYSA-N
MW405.42 g/mol
LogP3.50
Rot. Bonds5

About N-methyl-6-oxo-N-(pyridin-2-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

N-methyl-6-oxo-N-(pyridin-2-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 24817271) has the molecular formula C21H22F3N3O2 and a molecular weight of 405.42 g/mol. Its IUPAC name is N-methyl-6-oxo-N-(pyridin-2-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-oxo-N-(pyridin-2-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID24817271
Molecular FormulaC21H22F3N3O2
Molecular Weight405.42 g/mol
Exact Mass405.17
IUPAC NameN-methyl-6-oxo-N-(pyridin-2-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCN(Cc1ccccn1)C(=O)C1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C21H22F3N3O2/c1-26(14-18-7-2-3-10-25-18)20(29)16-8-9-19(28)27(13-16)12-15-5-4-6-17(11-15)21(22,23)24/h2-7,10-11,16H,8-9,12-14H2,1H3
InChIKeyAPYPPBGRZBVHHS-UHFFFAOYSA-N
XLogP3.50
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-Dimethyl-pyridin-3-yl)-(4-methyl-4-{3-methyl-4-[1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone
CID 464036
5-(4-Fluoro-phenyl)-7-methyl-8-oxo-7,8-dihydro-[1,7]naphthyridine-6-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)-methyl-amide
CID 9871891
7-Methyl-8-oxo-5-phenyl-7,8-dihydro-[1,7]naphthyridine-6-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)-methyl-amide
CID 10369373
Piperazine, 1-(3-pyridinylcarbonyl)-4-(3-(trifluoromethyl)phenyl)-
CID 667537
Pyridin-2-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 2604307
1-(2-methoxyethyl)-N-[(3-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
CID 24819416
2-Phenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 695027
N-(2-(1-benzylpiperidin-4-yl)ethyl)-N-(pyridin-4-yl)acetamide
CID 9974344
(2-Methyl-pyridin-3-yl)-[4-(3-phenyl-3-pyrrolidin-1-yl-propionyl)-piperazin-1-yl]-acetonitrile
CID 9979382
N-(3-{4-[Cyano-(2-methyl-pyridin-3-yl)-methyl]-piperazin-1-yl}-3-oxo-1-phenyl-propyl)-acetamide
CID 10001344
[4-(3,3-Diphenyl-propionyl)-piperazin-1-yl]-(2-methyl-pyridin-3-yl)-acetonitrile
CID 10048004
(3-{4-[Cyano-(2-methyl-pyridin-3-yl)-methyl]-piperazin-1-yl}-3-oxo-1-phenyl-propyl)-methyl-carbamic acid methyl ester
CID 10071653

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-oxo-N-(pyridin-2-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-methyl-6-oxo-N-(pyridin-2-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (CID 24817271) is N-methyl-6-oxo-N-(pyridin-2-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-6-oxo-N-(pyridin-2-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-methyl-6-oxo-N-(pyridin-2-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is CN(Cc1ccccn1)C(=O)C1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of N-methyl-6-oxo-N-(pyridin-2-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is APYPPBGRZBVHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3O2/c1-26(14-18-7-2-3-10-25-18)20(29)16-8-9-19(28)27(13-16)12-15-5-4-6-17(11-15)21(22,23)24/h2-7,10-11,16H,8-9,12-14H2,1H3.
What are the key properties of N-methyl-6-oxo-N-(pyridin-2-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
N-methyl-6-oxo-N-(pyridin-2-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 405.42 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-oxo-N-(pyridin-2-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 24817271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).