4-(4,6-dimethoxypyrimidin-2-yl)-N-ethylpiperidine-1-carboxamide

C14H22N4O3 — CID 4651393

IUPAC4-(4,6-dimethoxypyrimidin-2-yl)-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(c2nc(OC)cc(OC)n2)CC1
InChIInChI=1S/C14H22N4O3/c1-4-15-14(19)18-7-5-10(6-8-18)13-16-11(20-2)9-12(17-13)21-3/h9-10H,4-8H2,1-3H3,(H,15,19)
InChIKeyHTIGLFICCOZEIE-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.40
Rot. Bonds4

About 4-(4,6-dimethoxypyrimidin-2-yl)-N-ethylpiperidine-1-carboxamide

4-(4,6-dimethoxypyrimidin-2-yl)-N-ethylpiperidine-1-carboxamide (PubChem CID 4651393) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-(4,6-dimethoxypyrimidin-2-yl)-N-ethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4,6-dimethoxypyrimidin-2-yl)-N-ethylpiperidine-1-carboxamide
PubChem CID4651393
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name4-(4,6-dimethoxypyrimidin-2-yl)-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(c2nc(OC)cc(OC)n2)CC1
InChIInChI=1S/C14H22N4O3/c1-4-15-14(19)18-7-5-10(6-8-18)13-16-11(20-2)9-12(17-13)21-3/h9-10H,4-8H2,1-3H3,(H,15,19)
InChIKeyHTIGLFICCOZEIE-UHFFFAOYSA-N
XLogP1.40
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-Dimethoxy-2-piperidin-1-ylpyrimidine
CID 90342172
4,6-Dimethoxy-2-(piperazin-1-ylmethyl)pyrimidine
CID 2736218
4,6-Dimethoxy-2-piperidin-4-ylpyrimidine
CID 2761142
N-ethyl-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide
CID 32114116
1-(2-Cyclopropylethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea
CID 84600681
US10030012, Example 37
CID 78318999
N-(2-((2,6-dimethoxypyrimidin-4-yl)amino)ethyl)isobutyramide
CID 42153920
(4S)-N-(6-methoxypyrimidin-4-yl)-4-methylazepane-1-carboxamide
CID 97350296
4,6-dimethoxy-2-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrimidine
CID 97436266
N-({1-[Ethyl(methyl)amino]cyclopentyl}methyl)-4,6-dimethoxypyrimidin-2-amine
CID 122562983
N-{[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl}-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 131942741
(6S)-4-(4,6-dimethoxypyrimidin-2-yl)-6-methylpiperazin-2-one
CID 132421852

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dimethoxypyrimidin-2-yl)-N-ethylpiperidine-1-carboxamide?
The IUPAC name of 4-(4,6-dimethoxypyrimidin-2-yl)-N-ethylpiperidine-1-carboxamide (CID 4651393) is 4-(4,6-dimethoxypyrimidin-2-yl)-N-ethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(4,6-dimethoxypyrimidin-2-yl)-N-ethylpiperidine-1-carboxamide?
The canonical SMILES for 4-(4,6-dimethoxypyrimidin-2-yl)-N-ethylpiperidine-1-carboxamide is CCNC(=O)N1CCC(c2nc(OC)cc(OC)n2)CC1.
What is the InChIKey of 4-(4,6-dimethoxypyrimidin-2-yl)-N-ethylpiperidine-1-carboxamide?
The InChIKey is HTIGLFICCOZEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-4-15-14(19)18-7-5-10(6-8-18)13-16-11(20-2)9-12(17-13)21-3/h9-10H,4-8H2,1-3H3,(H,15,19).
What are the key properties of 4-(4,6-dimethoxypyrimidin-2-yl)-N-ethylpiperidine-1-carboxamide?
4-(4,6-dimethoxypyrimidin-2-yl)-N-ethylpiperidine-1-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimethoxypyrimidin-2-yl)-N-ethylpiperidine-1-carboxamide is sourced from PubChem (CID 4651393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).