1-(4-methoxypyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C13H17F3N4O2 — CID 133326931

IUPAC1-(4-methoxypyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCOc1ccnc(N2CCCC(C(=O)NCC(F)(F)F)C2)n1
InChIInChI=1S/C13H17F3N4O2/c1-22-10-4-5-17-12(19-10)20-6-2-3-9(7-20)11(21)18-8-13(14,15)16/h4-5,9H,2-3,6-8H2,1H3,(H,18,21)
InChIKeyMAVPNVBXEXLBAH-UHFFFAOYSA-N
MW318.30 g/mol
LogP1.38
Rot. Bonds4

About 1-(4-methoxypyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

1-(4-methoxypyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 133326931) has the molecular formula C13H17F3N4O2 and a molecular weight of 318.30 g/mol. Its IUPAC name is 1-(4-methoxypyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxypyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID133326931
Molecular FormulaC13H17F3N4O2
Molecular Weight318.30 g/mol
Exact Mass318.13
IUPAC Name1-(4-methoxypyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCOc1ccnc(N2CCCC(C(=O)NCC(F)(F)F)C2)n1
InChIInChI=1S/C13H17F3N4O2/c1-22-10-4-5-17-12(19-10)20-6-2-3-9(7-20)11(21)18-8-13(14,15)16/h4-5,9H,2-3,6-8H2,1H3,(H,18,21)
InChIKeyMAVPNVBXEXLBAH-UHFFFAOYSA-N
XLogP1.38
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

US9624218, Example 13
CID 138374299
N-ethyl-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide
CID 32114116
2-(4-Methoxypyrimidin-2-YL)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 72885752
7-Isopropyl-2-(4-methoxypyrimidin-2-YL)-2,7-diazaspiro[4.5]decan-6-one
CID 72904636
7-(Cyclopropylmethyl)-2-(4-methoxypyrimidin-2-YL)-2,7-diazaspiro[4.5]decan-6-one
CID 72940676
N-[2-[(4-methoxypyrimidin-2-yl)-methylamino]ethyl]acetamide
CID 136548989
1-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 42953128
3-((4-Methoxypyrimidin-2-yl)amino)piperidin-2-one
CID 47476528
[(2S)-4-(4-methoxypyrimidin-2-yl)piperazin-2-yl]-pyrrolidin-1-ylmethanone
CID 95724778
cyclopentyl-[(3S)-3-[(4-methoxypyrimidin-2-yl)amino]azepan-1-yl]methanone
CID 96571256
(3S)-3-cyclohexyl-3-[(4-methoxypyrimidin-2-yl)amino]propanamide
CID 97327723
9-(4-Ethoxypyrimidin-2-yl)-3,9-diazaspiro[5.5]undecane-2,4-dione
CID 129610013

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-methoxypyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 133326931) is 1-(4-methoxypyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methoxypyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-methoxypyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is COc1ccnc(N2CCCC(C(=O)NCC(F)(F)F)C2)n1.
What is the InChIKey of 1-(4-methoxypyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is MAVPNVBXEXLBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O2/c1-22-10-4-5-17-12(19-10)20-6-2-3-9(7-20)11(21)18-8-13(14,15)16/h4-5,9H,2-3,6-8H2,1H3,(H,18,21).
What are the key properties of 1-(4-methoxypyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
1-(4-methoxypyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 318.30 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 133326931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).