(2S)-N-(2,2-difluoroethyl)-1-(6-ethoxypyrimidin-4-yl)piperidine-2-carboxamide

C14H20F2N4O2 — CID 126454651

IUPAC(2S)-N-(2,2-difluoroethyl)-1-(6-ethoxypyrimidin-4-yl)piperidine-2-carboxamide
SMILESCCOc1cc(N2CCCC[C@H]2C(=O)NCC(F)F)ncn1
InChIInChI=1S/C14H20F2N4O2/c1-2-22-13-7-12(18-9-19-13)20-6-4-3-5-10(20)14(21)17-8-11(15)16/h7,9-11H,2-6,8H2,1H3,(H,17,21)/t10-/m0/s1
InChIKeyLVAAKYYJZCZYSY-JTQLQIEISA-N
MW314.34 g/mol
LogP1.62
Rot. Bonds6

About (2S)-N-(2,2-difluoroethyl)-1-(6-ethoxypyrimidin-4-yl)piperidine-2-carboxamide

(2S)-N-(2,2-difluoroethyl)-1-(6-ethoxypyrimidin-4-yl)piperidine-2-carboxamide (PubChem CID 126454651) has the molecular formula C14H20F2N4O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is (2S)-N-(2,2-difluoroethyl)-1-(6-ethoxypyrimidin-4-yl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2,2-difluoroethyl)-1-(6-ethoxypyrimidin-4-yl)piperidine-2-carboxamide
PubChem CID126454651
Molecular FormulaC14H20F2N4O2
Molecular Weight314.34 g/mol
Exact Mass314.16
IUPAC Name(2S)-N-(2,2-difluoroethyl)-1-(6-ethoxypyrimidin-4-yl)piperidine-2-carboxamide
SMILESCCOc1cc(N2CCCC[C@H]2C(=O)NCC(F)F)ncn1
InChIInChI=1S/C14H20F2N4O2/c1-2-22-13-7-12(18-9-19-13)20-6-4-3-5-10(20)14(21)17-8-11(15)16/h7,9-11H,2-6,8H2,1H3,(H,17,21)/t10-/m0/s1
InChIKeyLVAAKYYJZCZYSY-JTQLQIEISA-N
XLogP1.62
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethoxy-N-(piperidin-4-yl)pyrimidin-4-amine
CID 66319018
1-Cyclohexyl-3-(2-((6-morpholinopyrimidin-4-yl)oxy)ethyl)urea
CID 44069692
N-[2-(6-piperidino-4-pyrimidinyloxy)ethyl]cyclopropanecarboxamide
CID 44069694
N-(2-((6-morpholinopyrimidin-4-yl)oxy)ethyl)cyclopentanecarboxamide
CID 45541869
3-((4-Methoxypyrimidin-2-yl)amino)piperidin-2-one
CID 47476528
(2S)-1-(6-ethoxypyrimidin-4-yl)-N,N-diethylpyrrolidine-2-carboxamide
CID 97839669
4-Piperazin-1-yl-6-(2,2,2-trifluoroethoxy)pyrimidine
CID 66747273
Methyl 3-[6-[(4,4-difluorocyclohexyl)amino]pyrimidin-4-yl]oxyazetidine-1-carboxylate
CID 132207289
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
2-(2-Amino-5-fluorocyclohexa-1,3-dien-1-yl)-2-imino-1-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 144328527
1-Hexan-2-yl-3-[[4-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]methyl]urea
CID 175464397

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,2-difluoroethyl)-1-(6-ethoxypyrimidin-4-yl)piperidine-2-carboxamide?
The IUPAC name of (2S)-N-(2,2-difluoroethyl)-1-(6-ethoxypyrimidin-4-yl)piperidine-2-carboxamide (CID 126454651) is (2S)-N-(2,2-difluoroethyl)-1-(6-ethoxypyrimidin-4-yl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2,2-difluoroethyl)-1-(6-ethoxypyrimidin-4-yl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2,2-difluoroethyl)-1-(6-ethoxypyrimidin-4-yl)piperidine-2-carboxamide is CCOc1cc(N2CCCC[C@H]2C(=O)NCC(F)F)ncn1.
What is the InChIKey of (2S)-N-(2,2-difluoroethyl)-1-(6-ethoxypyrimidin-4-yl)piperidine-2-carboxamide?
The InChIKey is LVAAKYYJZCZYSY-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20F2N4O2/c1-2-22-13-7-12(18-9-19-13)20-6-4-3-5-10(20)14(21)17-8-11(15)16/h7,9-11H,2-6,8H2,1H3,(H,17,21)/t10-/m0/s1.
What are the key properties of (2S)-N-(2,2-difluoroethyl)-1-(6-ethoxypyrimidin-4-yl)piperidine-2-carboxamide?
(2S)-N-(2,2-difluoroethyl)-1-(6-ethoxypyrimidin-4-yl)piperidine-2-carboxamide has a molecular weight of 314.34 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,2-difluoroethyl)-1-(6-ethoxypyrimidin-4-yl)piperidine-2-carboxamide is sourced from PubChem (CID 126454651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).