N-(1-adamantyl)-3,3-dimethyl-5-(3-methylpiperidin-1-yl)-5-oxopentanamide

C23H38N2O2 — CID 69169794

IUPACN-(1-adamantyl)-3,3-dimethyl-5-(3-methylpiperidin-1-yl)-5-oxopentanamide
SMILESCC1CCCN(C(=O)CC(C)(C)CC(=O)NC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C23H38N2O2/c1-16-5-4-6-25(15-16)21(27)14-22(2,3)13-20(26)24-23-10-17-7-18(11-23)9-19(8-17)12-23/h16-19H,4-15H2,1-3H3,(H,24,26)
InChIKeyOAUSAJLXWZRIGU-UHFFFAOYSA-N
MW374.57 g/mol
LogP4.14
Rot. Bonds5

About N-(1-adamantyl)-3,3-dimethyl-5-(3-methylpiperidin-1-yl)-5-oxopentanamide

N-(1-adamantyl)-3,3-dimethyl-5-(3-methylpiperidin-1-yl)-5-oxopentanamide (PubChem CID 69169794) has the molecular formula C23H38N2O2 and a molecular weight of 374.57 g/mol. Its IUPAC name is N-(1-adamantyl)-3,3-dimethyl-5-(3-methylpiperidin-1-yl)-5-oxopentanamide.

Molecular Properties

Compound NameN-(1-adamantyl)-3,3-dimethyl-5-(3-methylpiperidin-1-yl)-5-oxopentanamide
PubChem CID69169794
Molecular FormulaC23H38N2O2
Molecular Weight374.57 g/mol
Exact Mass374.29
IUPAC NameN-(1-adamantyl)-3,3-dimethyl-5-(3-methylpiperidin-1-yl)-5-oxopentanamide
SMILESCC1CCCN(C(=O)CC(C)(C)CC(=O)NC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C23H38N2O2/c1-16-5-4-6-25(15-16)21(27)14-22(2,3)13-20(26)24-23-10-17-7-18(11-23)9-19(8-17)12-23/h16-19H,4-15H2,1-3H3,(H,24,26)
InChIKeyOAUSAJLXWZRIGU-UHFFFAOYSA-N
XLogP4.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.57
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-adamantyl)-3-methylpiperidine-1-carboxamide
CID 5141458
5-[(3S)-3-hydroxypiperidin-1-yl]-3,3-dimethyl-5-oxopentanoic acid
CID 107214953
N-(1-adamantyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8930212
3-amino-3-methyl-1-(4-methylazepan-1-yl)butan-1-one
CID 64677870
N-(1-adamantyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 11601752
[2-(tert-butylamino)-2-oxoethyl]-methyl-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]azanium
CID 8766762
1-(3-methylpiperidin-1-yl)-2-methylsulfanylethanone
CID 42910082
1-(1-adamantyl)-3-[(Z)-N-(4,6-dimethylpyrimidin-2-yl)-C-(3-methylpiperidin-1-yl)carbonimidoyl]urea
CID 135771504
2-(cyclopropylamino)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 93300981
N-(1-adamantyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide
CID 8543808
2,2-dimethyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 40543342
(1-aminocyclopropyl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 89395545

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-3,3-dimethyl-5-(3-methylpiperidin-1-yl)-5-oxopentanamide?
The IUPAC name of N-(1-adamantyl)-3,3-dimethyl-5-(3-methylpiperidin-1-yl)-5-oxopentanamide (CID 69169794) is N-(1-adamantyl)-3,3-dimethyl-5-(3-methylpiperidin-1-yl)-5-oxopentanamide.
What is the SMILES notation for N-(1-adamantyl)-3,3-dimethyl-5-(3-methylpiperidin-1-yl)-5-oxopentanamide?
The canonical SMILES for N-(1-adamantyl)-3,3-dimethyl-5-(3-methylpiperidin-1-yl)-5-oxopentanamide is CC1CCCN(C(=O)CC(C)(C)CC(=O)NC23CC4CC(CC(C4)C2)C3)C1.
What is the InChIKey of N-(1-adamantyl)-3,3-dimethyl-5-(3-methylpiperidin-1-yl)-5-oxopentanamide?
The InChIKey is OAUSAJLXWZRIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2O2/c1-16-5-4-6-25(15-16)21(27)14-22(2,3)13-20(26)24-23-10-17-7-18(11-23)9-19(8-17)12-23/h16-19H,4-15H2,1-3H3,(H,24,26).
What are the key properties of N-(1-adamantyl)-3,3-dimethyl-5-(3-methylpiperidin-1-yl)-5-oxopentanamide?
N-(1-adamantyl)-3,3-dimethyl-5-(3-methylpiperidin-1-yl)-5-oxopentanamide has a molecular weight of 374.57 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-3,3-dimethyl-5-(3-methylpiperidin-1-yl)-5-oxopentanamide is sourced from PubChem (CID 69169794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).