N-(1-adamantyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide

C19H33N3O — CID 3948880

IUPACN-(1-adamantyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide
SMILESCN1CCC(N(C)CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C19H33N3O/c1-21-5-3-17(4-6-21)22(2)13-18(23)20-19-10-14-7-15(11-19)9-16(8-14)12-19/h14-17H,3-13H2,1-2H3,(H,20,23)
InChIKeyPRICJMUYQLYJLL-UHFFFAOYSA-N
MW319.49 g/mol
LogP2.10
Rot. Bonds4

About N-(1-adamantyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide

N-(1-adamantyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide (PubChem CID 3948880) has the molecular formula C19H33N3O and a molecular weight of 319.49 g/mol. Its IUPAC name is N-(1-adamantyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide
PubChem CID3948880
Molecular FormulaC19H33N3O
Molecular Weight319.49 g/mol
Exact Mass319.26
IUPAC NameN-(1-adamantyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide
SMILESCN1CCC(N(C)CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C19H33N3O/c1-21-5-3-17(4-6-21)22(2)13-18(23)20-19-10-14-7-15(11-19)9-16(8-14)12-19/h14-17H,3-13H2,1-2H3,(H,20,23)
InChIKeyPRICJMUYQLYJLL-UHFFFAOYSA-N
XLogP2.10
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide
CID 43509628
N-(1-adamantyl)-2-(4-methylpiperazin-1-yl)acetamide;oxalic acid
CID 171669478
N-(1-adamantyl)-2-[benzyl(methyl)amino]acetamide
CID 3556406
N-(1-adamantyl)-2-[(4-bromophenyl)methyl-methylamino]acetamide
CID 9040085
N-[4-(dimethylamino)phenyl]-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide
CID 2095190
3-(1-adamantylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108870291
N-(1-adamantyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide
CID 9045207
2-[methyl-(1-methylpiperidin-4-yl)amino]-N-(4-pyrazol-1-ylbutan-2-yl)acetamide
CID 91768318
N-(1-adamantyl)-2-cyclohexylacetamide
CID 23739251
N-(1-adamantyl)-2-cyclohexylsulfanylacetamide
CID 8705689
N-(1-adamantyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 11601752
2-[methyl-(1-methylpiperidin-4-yl)amino]-1-piperidin-1-ylethanone
CID 175826777

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide?
The IUPAC name of N-(1-adamantyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide (CID 3948880) is N-(1-adamantyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide?
The canonical SMILES for N-(1-adamantyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide is CN1CCC(N(C)CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of N-(1-adamantyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide?
The InChIKey is PRICJMUYQLYJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O/c1-21-5-3-17(4-6-21)22(2)13-18(23)20-19-10-14-7-15(11-19)9-16(8-14)12-19/h14-17H,3-13H2,1-2H3,(H,20,23).
What are the key properties of N-(1-adamantyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide?
N-(1-adamantyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide has a molecular weight of 319.49 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide is sourced from PubChem (CID 3948880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).