1-(6-ethoxypyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C14H19F3N4O2 — CID 75510036

IUPAC1-(6-ethoxypyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCOc1cc(N2CCCC(C(=O)NCC(F)(F)F)C2)ncn1
InChIInChI=1S/C14H19F3N4O2/c1-2-23-12-6-11(19-9-20-12)21-5-3-4-10(7-21)13(22)18-8-14(15,16)17/h6,9-10H,2-5,7-8H2,1H3,(H,18,22)
InChIKeyINOFSQLMGIPEFU-UHFFFAOYSA-N
MW332.33 g/mol
LogP1.77
Rot. Bonds5

About 1-(6-ethoxypyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

1-(6-ethoxypyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 75510036) has the molecular formula C14H19F3N4O2 and a molecular weight of 332.33 g/mol. Its IUPAC name is 1-(6-ethoxypyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-ethoxypyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID75510036
Molecular FormulaC14H19F3N4O2
Molecular Weight332.33 g/mol
Exact Mass332.15
IUPAC Name1-(6-ethoxypyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCOc1cc(N2CCCC(C(=O)NCC(F)(F)F)C2)ncn1
InChIInChI=1S/C14H19F3N4O2/c1-2-23-12-6-11(19-9-20-12)21-5-3-4-10(7-21)13(22)18-8-14(15,16)17/h6,9-10H,2-5,7-8H2,1H3,(H,18,22)
InChIKeyINOFSQLMGIPEFU-UHFFFAOYSA-N
XLogP1.77
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide
CID 32114116
1-(2-Amino-6-isopropoxypyrimidin-4-YL)piperidine-4-carboxamide
CID 50950377
N-[2-(6-piperidino-4-pyrimidinyloxy)ethyl]cyclopropanecarboxamide
CID 44069694
N-(2-((6-morpholinopyrimidin-4-yl)oxy)ethyl)cyclopentanecarboxamide
CID 45541869
(3S)-1-(6-ethoxypyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 99638697
4-(2-Butynyloxy)-6-(3-trifluoromethylpiperidino)pyrimidine
CID 57672951
6-(2-Pentynyloxy)-4-(3-trifluoromethylpiperidino)pyrimidine
CID 66594989
4-Ethoxy-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 70938246
1-[(3S,4S)-4-amino-1-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]pyrrolidin-3-yl]piperidin-2-one
CID 140521100
1-[(3S,4S)-4-amino-1-[6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]pyrrolidin-3-yl]piperidin-2-one
CID 140521101
1-(4-methoxypyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 32173855
6-ethoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine
CID 66329162

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxypyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(6-ethoxypyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 75510036) is 1-(6-ethoxypyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(6-ethoxypyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(6-ethoxypyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CCOc1cc(N2CCCC(C(=O)NCC(F)(F)F)C2)ncn1.
What is the InChIKey of 1-(6-ethoxypyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is INOFSQLMGIPEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O2/c1-2-23-12-6-11(19-9-20-12)21-5-3-4-10(7-21)13(22)18-8-14(15,16)17/h6,9-10H,2-5,7-8H2,1H3,(H,18,22).
What are the key properties of 1-(6-ethoxypyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
1-(6-ethoxypyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 332.33 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxypyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 75510036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).