N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3,4-dimethylbenzamide

C26H36N2O2 — CID 108557565

IUPACN-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC2CCN(C(=O)CC34CC5CC(CC(C5)C3)C4)CC2)cc1C
InChIInChI=1S/C26H36N2O2/c1-17-3-4-22(9-18(17)2)25(30)27-23-5-7-28(8-6-23)24(29)16-26-13-19-10-20(14-26)12-21(11-19)15-26/h3-4,9,19-21,23H,5-8,10-16H2,1-2H3,(H,27,30)
InChIKeyUCEJKGFIQQFIQO-UHFFFAOYSA-N
MW408.59 g/mol
LogP4.63
Rot. Bonds4

About N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3,4-dimethylbenzamide

N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3,4-dimethylbenzamide (PubChem CID 108557565) has the molecular formula C26H36N2O2 and a molecular weight of 408.59 g/mol. Its IUPAC name is N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3,4-dimethylbenzamide
PubChem CID108557565
Molecular FormulaC26H36N2O2
Molecular Weight408.59 g/mol
Exact Mass408.28
IUPAC NameN-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC2CCN(C(=O)CC34CC5CC(CC(C5)C3)C4)CC2)cc1C
InChIInChI=1S/C26H36N2O2/c1-17-3-4-22(9-18(17)2)25(30)27-23-5-7-28(8-6-23)24(29)16-26-13-19-10-20(14-26)12-21(11-19)15-26/h3-4,9,19-21,23H,5-8,10-16H2,1-2H3,(H,27,30)
InChIKeyUCEJKGFIQQFIQO-UHFFFAOYSA-N
XLogP4.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-ethoxybenzamide
CID 108551861
N-(1-ethylpiperidin-4-yl)-3,4-dimethylbenzamide
CID 17249701
N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3-methoxypropanamide
CID 108556161
N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3,3-dimethylbutanamide
CID 108564229
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-3,4-dimethylbenzamide
CID 108557638
N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide
CID 108549110
N-[1-(2-chloroacetyl)piperidin-4-yl]-4-methylbenzamide
CID 108559266
4-(dimethylamino)-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
CID 108557983
N-(1-cyclopentylpiperidin-4-yl)-3,4-dimethylbenzamide
CID 110752030
N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-ethoxybenzamide
CID 108551882
N-cyclobutyl-3,4-dimethylbenzamide;ethane
CID 142916267
3,4-dimethyl-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide
CID 108557610

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3,4-dimethylbenzamide?
The IUPAC name of N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3,4-dimethylbenzamide (CID 108557565) is N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)NC2CCN(C(=O)CC34CC5CC(CC(C5)C3)C4)CC2)cc1C.
What is the InChIKey of N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3,4-dimethylbenzamide?
The InChIKey is UCEJKGFIQQFIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O2/c1-17-3-4-22(9-18(17)2)25(30)27-23-5-7-28(8-6-23)24(29)16-26-13-19-10-20(14-26)12-21(11-19)15-26/h3-4,9,19-21,23H,5-8,10-16H2,1-2H3,(H,27,30).
What are the key properties of N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3,4-dimethylbenzamide?
N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3,4-dimethylbenzamide has a molecular weight of 408.59 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3,4-dimethylbenzamide is sourced from PubChem (CID 108557565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).