2-[piperidin-4-yl-(2,2,2-trifluoroacetyl)amino]-1,2-dihydropyridine-6-carboxamide

C13H17F3N4O2 — CID 173104522

IUPAC2-[piperidin-4-yl-(2,2,2-trifluoroacetyl)amino]-1,2-dihydropyridine-6-carboxamide
SMILESNC(=O)C1=CC=CC(N(C(=O)C(F)(F)F)C2CCNCC2)N1
InChIInChI=1S/C13H17F3N4O2/c14-13(15,16)12(22)20(8-4-6-18-7-5-8)10-3-1-2-9(19-10)11(17)21/h1-3,8,10,18-19H,4-7H2,(H2,17,21)
InChIKeyRLMBXXXLYLCRFA-UHFFFAOYSA-N
MW318.30 g/mol
LogP-0.02
Rot. Bonds3

About 2-[piperidin-4-yl-(2,2,2-trifluoroacetyl)amino]-1,2-dihydropyridine-6-carboxamide

2-[piperidin-4-yl-(2,2,2-trifluoroacetyl)amino]-1,2-dihydropyridine-6-carboxamide (PubChem CID 173104522) has the molecular formula C13H17F3N4O2 and a molecular weight of 318.30 g/mol. Its IUPAC name is 2-[piperidin-4-yl-(2,2,2-trifluoroacetyl)amino]-1,2-dihydropyridine-6-carboxamide.

Molecular Properties

Compound Name2-[piperidin-4-yl-(2,2,2-trifluoroacetyl)amino]-1,2-dihydropyridine-6-carboxamide
PubChem CID173104522
Molecular FormulaC13H17F3N4O2
Molecular Weight318.30 g/mol
Exact Mass318.13
IUPAC Name2-[piperidin-4-yl-(2,2,2-trifluoroacetyl)amino]-1,2-dihydropyridine-6-carboxamide
SMILESNC(=O)C1=CC=CC(N(C(=O)C(F)(F)F)C2CCNCC2)N1
InChIInChI=1S/C13H17F3N4O2/c14-13(15,16)12(22)20(8-4-6-18-7-5-8)10-3-1-2-9(19-10)11(17)21/h1-3,8,10,18-19H,4-7H2,(H2,17,21)
InChIKeyRLMBXXXLYLCRFA-UHFFFAOYSA-N
XLogP-0.02
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-methylcyclohexa-2,4-dien-1-yl)ethyl]-1-piperidin-4-ylurea
CID 163565567
piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 68619388
N-(oxetan-3-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 155407829
benzyl N-methyl-N-piperidin-4-ylcarbamate;2,2,2-trifluoroacetic acid
CID 118077491
N-ethyl-2,2-dimethyl-N-piperidin-4-ylpropanamide
CID 60805901
2,2,2-trifluoro-N-methyl-N-(4-oxocyclohexyl)acetamide
CID 79119811
N-methyl-N-piperidin-4-yl-3,5-bis(trifluoromethyl)benzamide
CID 119442576
N-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzamide
CID 60806173
2,4-dimethyl-3-[[methyl(piperidin-4-yl)amino]methyl]benzamide
CID 175533700
4-(piperidin-4-ylmethyl)-2-(trifluoromethyl)benzamide
CID 175939271
N-cycloheptyl-N-[(3R)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide
CID 11631726
N-(cyclopropylmethyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid
CID 155407853

Frequently Asked Questions

What is the IUPAC name of 2-[piperidin-4-yl-(2,2,2-trifluoroacetyl)amino]-1,2-dihydropyridine-6-carboxamide?
The IUPAC name of 2-[piperidin-4-yl-(2,2,2-trifluoroacetyl)amino]-1,2-dihydropyridine-6-carboxamide (CID 173104522) is 2-[piperidin-4-yl-(2,2,2-trifluoroacetyl)amino]-1,2-dihydropyridine-6-carboxamide.
What is the SMILES notation for 2-[piperidin-4-yl-(2,2,2-trifluoroacetyl)amino]-1,2-dihydropyridine-6-carboxamide?
The canonical SMILES for 2-[piperidin-4-yl-(2,2,2-trifluoroacetyl)amino]-1,2-dihydropyridine-6-carboxamide is NC(=O)C1=CC=CC(N(C(=O)C(F)(F)F)C2CCNCC2)N1.
What is the InChIKey of 2-[piperidin-4-yl-(2,2,2-trifluoroacetyl)amino]-1,2-dihydropyridine-6-carboxamide?
The InChIKey is RLMBXXXLYLCRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O2/c14-13(15,16)12(22)20(8-4-6-18-7-5-8)10-3-1-2-9(19-10)11(17)21/h1-3,8,10,18-19H,4-7H2,(H2,17,21).
What are the key properties of 2-[piperidin-4-yl-(2,2,2-trifluoroacetyl)amino]-1,2-dihydropyridine-6-carboxamide?
2-[piperidin-4-yl-(2,2,2-trifluoroacetyl)amino]-1,2-dihydropyridine-6-carboxamide has a molecular weight of 318.30 g/mol, XLogP of -0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[piperidin-4-yl-(2,2,2-trifluoroacetyl)amino]-1,2-dihydropyridine-6-carboxamide is sourced from PubChem (CID 173104522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).