N-methyl-2-[4-[[methyl-(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]acetamide

C17H29N5O — CID 75381294

IUPACN-methyl-2-[4-[[methyl-(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]acetamide
SMILESCNC(=O)CN1CCC(CN(C)c2nc(C)nc(C)c2C)CC1
InChIInChI=1S/C17H29N5O/c1-12-13(2)19-14(3)20-17(12)21(5)10-15-6-8-22(9-7-15)11-16(23)18-4/h15H,6-11H2,1-5H3,(H,18,23)
InChIKeyNSHFFOMNTZHSRV-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.30
Rot. Bonds5

About N-methyl-2-[4-[[methyl-(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]acetamide

N-methyl-2-[4-[[methyl-(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]acetamide (PubChem CID 75381294) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is N-methyl-2-[4-[[methyl-(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[[methyl-(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]acetamide
PubChem CID75381294
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC NameN-methyl-2-[4-[[methyl-(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]acetamide
SMILESCNC(=O)CN1CCC(CN(C)c2nc(C)nc(C)c2C)CC1
InChIInChI=1S/C17H29N5O/c1-12-13(2)19-14(3)20-17(12)21(5)10-15-6-8-22(9-7-15)11-16(23)18-4/h15H,6-11H2,1-5H3,(H,18,23)
InChIKeyNSHFFOMNTZHSRV-UHFFFAOYSA-N
XLogP1.30
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[(2-ethylquinolin-4-yl)-methylamino]methyl]piperidin-1-yl]-N-methylacetamide
CID 133402186
2-[4-[[2-bromoprop-2-enyl(methyl)amino]methyl]piperidin-1-yl]-N-methylacetamide
CID 56794169
2-[4-[[2-hydroxybutyl(methyl)amino]methyl]piperidin-1-yl]-N-methylacetamide
CID 111437433
N-methyl-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
CID 60570907
2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-methylacetamide
CID 114802503
ethane;N-methyl-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]acetamide
CID 142390398
3-acetamido-N-methyl-N-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-(4-methylphenyl)propanamide
CID 167823289
N-methyl-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]acetamide
CID 60503699
N-methyl-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494467
2-[(3R)-3-aminopyrrolidin-1-yl]-N-methylacetamide
CID 94340497
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]acetamide
CID 43704790
N-methyl-2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]acetamide
CID 56908006

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[[methyl-(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-[[methyl-(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]acetamide (CID 75381294) is N-methyl-2-[4-[[methyl-(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-[[methyl-(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-[[methyl-(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]acetamide is CNC(=O)CN1CCC(CN(C)c2nc(C)nc(C)c2C)CC1.
What is the InChIKey of N-methyl-2-[4-[[methyl-(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]acetamide?
The InChIKey is NSHFFOMNTZHSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-12-13(2)19-14(3)20-17(12)21(5)10-15-6-8-22(9-7-15)11-16(23)18-4/h15H,6-11H2,1-5H3,(H,18,23).
What are the key properties of N-methyl-2-[4-[[methyl-(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]acetamide?
N-methyl-2-[4-[[methyl-(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]acetamide has a molecular weight of 319.45 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[[methyl-(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 75381294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).