N-[2-(methylcarbamoyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide

C20H21F3N4O2 — CID 43040213

IUPACN-[2-(methylcarbamoyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
SMILESCNC(=O)c1ccccc1NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C20H21F3N4O2/c1-24-19(29)15-4-2-3-5-16(15)26-18(28)13-8-10-27(11-9-13)17-7-6-14(12-25-17)20(21,22)23/h2-7,12-13H,8-11H2,1H3,(H,24,29)(H,26,28)
InChIKeyHPCHJTUUNLGGBO-UHFFFAOYSA-N
MW406.41 g/mol
LogP3.32
Rot. Bonds4

About N-[2-(methylcarbamoyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide

N-[2-(methylcarbamoyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 43040213) has the molecular formula C20H21F3N4O2 and a molecular weight of 406.41 g/mol. Its IUPAC name is N-[2-(methylcarbamoyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(methylcarbamoyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
PubChem CID43040213
Molecular FormulaC20H21F3N4O2
Molecular Weight406.41 g/mol
Exact Mass406.16
IUPAC NameN-[2-(methylcarbamoyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
SMILESCNC(=O)c1ccccc1NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C20H21F3N4O2/c1-24-19(29)15-4-2-3-5-16(15)26-18(28)13-8-10-27(11-9-13)17-7-6-14(12-25-17)20(21,22)23/h2-7,12-13H,8-11H2,1H3,(H,24,29)(H,26,28)
InChIKeyHPCHJTUUNLGGBO-UHFFFAOYSA-N
XLogP3.32
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methylcarbamoyl)phenyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 55407609
N-[2-(2-bromoanilino)-2-oxoethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 26287807
N-(5-methylhexan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 43031278
2-chloro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142758
N-[(2R)-2-pyrrolidin-1-ylpropyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 92612338
N-[(1R)-1-(furan-2-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 9482111
N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 26313473
phenyl 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
CID 2822230
ethyl 3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]amino]benzoate
CID 9228267
N-(2-chlorophenyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 38952409
N-[3-(dimethylamino)-3-oxopropyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 155945603
N-[2-(2-methoxyethylamino)-2-oxoethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 24596265

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylcarbamoyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(methylcarbamoyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (CID 43040213) is N-[2-(methylcarbamoyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(methylcarbamoyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(methylcarbamoyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is CNC(=O)c1ccccc1NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of N-[2-(methylcarbamoyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is HPCHJTUUNLGGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O2/c1-24-19(29)15-4-2-3-5-16(15)26-18(28)13-8-10-27(11-9-13)17-7-6-14(12-25-17)20(21,22)23/h2-7,12-13H,8-11H2,1H3,(H,24,29)(H,26,28).
What are the key properties of N-[2-(methylcarbamoyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
N-[2-(methylcarbamoyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 406.41 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylcarbamoyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 43040213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).