2-(1-adamantyl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide

C22H32N4O — CID 122353151

IUPAC2-(1-adamantyl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCc1ccnc(N2CCCCC2)n1
InChIInChI=1S/C22H32N4O/c27-20(14-22-11-16-8-17(12-22)10-18(9-16)13-22)24-15-19-4-5-23-21(25-19)26-6-2-1-3-7-26/h4-5,16-18H,1-3,6-15H2,(H,24,27)
InChIKeyAFOFESUVTOBYFG-UHFFFAOYSA-N
MW368.53 g/mol
LogP3.69
Rot. Bonds5

About 2-(1-adamantyl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide

2-(1-adamantyl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide (PubChem CID 122353151) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide
PubChem CID122353151
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC Name2-(1-adamantyl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCc1ccnc(N2CCCCC2)n1
InChIInChI=1S/C22H32N4O/c27-20(14-22-11-16-8-17(12-22)10-18(9-16)13-22)24-15-19-4-5-23-21(25-19)26-6-2-1-3-7-26/h4-5,16-18H,1-3,6-15H2,(H,24,27)
InChIKeyAFOFESUVTOBYFG-UHFFFAOYSA-N
XLogP3.69
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]adamantane-1-carboxamide
CID 122353091
2-(1-adamantyl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122352440
2-(1-adamantyl)-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]acetamide
CID 122354327
2-naphthalen-1-yl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122353105
2-(4-methoxyphenoxy)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122353098
1-(2,6-difluorophenyl)-3-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]urea
CID 122353062
4-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 91967226
2,3,4-trifluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122353165
N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 122352082
1-(2-chlorophenyl)-3-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]urea
CID 91967285
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]furan-2-carboxamide
CID 122353040
2-(1-adamantyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]acetamide
CID 122320232

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide (CID 122353151) is 2-(1-adamantyl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)NCc1ccnc(N2CCCCC2)n1.
What is the InChIKey of 2-(1-adamantyl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide?
The InChIKey is AFOFESUVTOBYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O/c27-20(14-22-11-16-8-17(12-22)10-18(9-16)13-22)24-15-19-4-5-23-21(25-19)26-6-2-1-3-7-26/h4-5,16-18H,1-3,6-15H2,(H,24,27).
What are the key properties of 2-(1-adamantyl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide?
2-(1-adamantyl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide has a molecular weight of 368.53 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide is sourced from PubChem (CID 122353151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).