N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-(1-ethylpiperidin-4-yl)acetamide

C16H26N4O — CID 72907392

IUPACN-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-(1-ethylpiperidin-4-yl)acetamide
SMILESCCN1CCC(CC(=O)NCc2nc(C)cc(C)n2)CC1
InChIInChI=1S/C16H26N4O/c1-4-20-7-5-14(6-8-20)10-16(21)17-11-15-18-12(2)9-13(3)19-15/h9,14H,4-8,10-11H2,1-3H3,(H,17,21)
InChIKeyGVAYPCFIICFWIP-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.83
Rot. Bonds5

About N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-(1-ethylpiperidin-4-yl)acetamide

N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-(1-ethylpiperidin-4-yl)acetamide (PubChem CID 72907392) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-(1-ethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-(1-ethylpiperidin-4-yl)acetamide
PubChem CID72907392
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-(1-ethylpiperidin-4-yl)acetamide
SMILESCCN1CCC(CC(=O)NCc2nc(C)cc(C)n2)CC1
InChIInChI=1S/C16H26N4O/c1-4-20-7-5-14(6-8-20)10-16(21)17-11-15-18-12(2)9-13(3)19-15/h9,14H,4-8,10-11H2,1-3H3,(H,17,21)
InChIKeyGVAYPCFIICFWIP-UHFFFAOYSA-N
XLogP1.83
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.83
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-dimethylpyrimidin-2-yl)-N-ethylpiperidine-3-carboxamide
CID 3224256
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
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 N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-(1-ethylpiperidin-4-yl)acetamide?
The IUPAC name of N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-(1-ethylpiperidin-4-yl)acetamide (CID 72907392) is N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-(1-ethylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-(1-ethylpiperidin-4-yl)acetamide?
The canonical SMILES for N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-(1-ethylpiperidin-4-yl)acetamide is CCN1CCC(CC(=O)NCc2nc(C)cc(C)n2)CC1.
What is the InChIKey of N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-(1-ethylpiperidin-4-yl)acetamide?
The InChIKey is GVAYPCFIICFWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-4-20-7-5-14(6-8-20)10-16(21)17-11-15-18-12(2)9-13(3)19-15/h9,14H,4-8,10-11H2,1-3H3,(H,17,21).
What are the key properties of N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-(1-ethylpiperidin-4-yl)acetamide?
N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-(1-ethylpiperidin-4-yl)acetamide has a molecular weight of 290.41 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-(1-ethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 72907392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).