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

C21H34N2O3 — CID 108556161

IUPACN-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3-methoxypropanamide
SMILESCOCCC(=O)NC1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C21H34N2O3/c1-26-7-4-19(24)22-18-2-5-23(6-3-18)20(25)14-21-11-15-8-16(12-21)10-17(9-15)13-21/h15-18H,2-14H2,1H3,(H,22,24)
InChIKeyIHRIOOBPBWOTJL-UHFFFAOYSA-N
MW362.51 g/mol
LogP2.74
Rot. Bonds6

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

N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3-methoxypropanamide (PubChem CID 108556161) has the molecular formula C21H34N2O3 and a molecular weight of 362.51 g/mol. Its IUPAC name is N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3-methoxypropanamide
PubChem CID108556161
Molecular FormulaC21H34N2O3
Molecular Weight362.51 g/mol
Exact Mass362.26
IUPAC NameN-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3-methoxypropanamide
SMILESCOCCC(=O)NC1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C21H34N2O3/c1-26-7-4-19(24)22-18-2-5-23(6-3-18)20(25)14-21-11-15-8-16(12-21)10-17(9-15)13-21/h15-18H,2-14H2,1H3,(H,22,24)
InChIKeyIHRIOOBPBWOTJL-UHFFFAOYSA-N
XLogP2.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-ethoxypropylcarbamothioyl)piperidin-4-yl]adamantane-1-carboxamide
CID 3218569
N-(1-acetylpiperidin-4-yl)-2-(1-adamantyl)acetamide
CID 51203516
2-(1-adamantyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide
CID 58973008
2-(1-adamantyl)-N-[(2S)-1-[(6S)-6-methyl-2,3-dioxopiperazin-1-yl]propan-2-yl]acetamide
CID 24856211
N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]adamantane-1-carboxamide
CID 58973012
N-[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]adamantane-1-carboxamide
CID 3221028
N-[1-(morpholin-4-yl)-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 2936422
N-(3-morpholin-4-ylpropyl)adamantane-1-carboxamide
CID 3132637
N-(1-acetylpiperidin-4-yl)adamantane-1-carboxamide
CID 51203514
N-(2,2,6,6-tetramethylpiperidin-4-yl)adamantane-1-carboxamide
CID 2861897
2-adamantanyl-N-[1-(2-methylpropyl)-2-morpholin-4-yl-2-oxoethyl]acetamide
CID 2945936
N-[1-(1-adamantyl)-2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexanecarboxamide
CID 2953934

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3-methoxypropanamide?
The IUPAC name of N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3-methoxypropanamide (CID 108556161) is N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3-methoxypropanamide.
What is the SMILES notation for N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3-methoxypropanamide?
The canonical SMILES for N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3-methoxypropanamide is COCCC(=O)NC1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3-methoxypropanamide?
The InChIKey is IHRIOOBPBWOTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O3/c1-26-7-4-19(24)22-18-2-5-23(6-3-18)20(25)14-21-11-15-8-16(12-21)10-17(9-15)13-21/h15-18H,2-14H2,1H3,(H,22,24).
What are the key properties of N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3-methoxypropanamide?
N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3-methoxypropanamide has a molecular weight of 362.51 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3-methoxypropanamide is sourced from PubChem (CID 108556161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).