1-(4,6-dimethylpyrimidin-2-yl)-N-ethylpiperidine-3-carboxamide

C14H22N4O — CID 3224256

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-N-ethylpiperidine-3-carboxamide
SMILESCCNC(=O)C1CCCN(c2nc(C)cc(C)n2)C1
InChIInChI=1S/C14H22N4O/c1-4-15-13(19)12-6-5-7-18(9-12)14-16-10(2)8-11(3)17-14/h8,12H,4-7,9H2,1-3H3,(H,15,19)
InChIKeyMMIYATWWTXYHAZ-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.45
Rot. Bonds3

About 1-(4,6-dimethylpyrimidin-2-yl)-N-ethylpiperidine-3-carboxamide

1-(4,6-dimethylpyrimidin-2-yl)-N-ethylpiperidine-3-carboxamide (PubChem CID 3224256) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-N-ethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-N-ethylpiperidine-3-carboxamide
PubChem CID3224256
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-N-ethylpiperidine-3-carboxamide
SMILESCCNC(=O)C1CCCN(c2nc(C)cc(C)n2)C1
InChIInChI=1S/C14H22N4O/c1-4-15-13(19)12-6-5-7-18(9-12)14-16-10(2)8-11(3)17-14/h8,12H,4-7,9H2,1-3H3,(H,15,19)
InChIKeyMMIYATWWTXYHAZ-UHFFFAOYSA-N
XLogP1.45
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid cyclopropylamide
CID 3223293
N-cyclopropyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3224234
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-3-carboxylic acid (2-cyclohex-1-enyl-ethyl)-amide
CID 649439
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid (1,1-dimethyl-propyl)-amide
CID 653435
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-3-carboxylic acid cyclopentylamide
CID 655094
1-[2-[Cyano-(4,6-dimethyl-2-pyrimidinyl)amino]-1-oxoethyl]-4-piperidinecarboxamide
CID 666064
N-butyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223312
1-(4,6-dimethylpyrimidin-2-yl)-N-propan-2-ylpiperidine-3-carboxamide
CID 3224231
N-cyclopropyl-1-(4-methyl-2-pyrimidinyl)-3-piperidinecarboxamide
CID 24792325
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid (3-methoxy-propyl)-amide
CID 648946
{[1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carbonyl]-amino}-acetic acid methyl ester
CID 649308
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid cyclohexylmethyl-amide
CID 653492

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-ethylpiperidine-3-carboxamide?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-ethylpiperidine-3-carboxamide (CID 3224256) is 1-(4,6-dimethylpyrimidin-2-yl)-N-ethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-N-ethylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-N-ethylpiperidine-3-carboxamide is CCNC(=O)C1CCCN(c2nc(C)cc(C)n2)C1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-N-ethylpiperidine-3-carboxamide?
The InChIKey is MMIYATWWTXYHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-4-15-13(19)12-6-5-7-18(9-12)14-16-10(2)8-11(3)17-14/h8,12H,4-7,9H2,1-3H3,(H,15,19).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-N-ethylpiperidine-3-carboxamide?
1-(4,6-dimethylpyrimidin-2-yl)-N-ethylpiperidine-3-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-N-ethylpiperidine-3-carboxamide is sourced from PubChem (CID 3224256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).