N-(1-acetylpiperidin-4-yl)adamantane-1-carboxamide

C18H28N2O2 — CID 51203514

IUPACN-(1-acetylpiperidin-4-yl)adamantane-1-carboxamide
SMILESCC(=O)N1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C18H28N2O2/c1-12(21)20-4-2-16(3-5-20)19-17(22)18-9-13-6-14(10-18)8-15(7-13)11-18/h13-16H,2-11H2,1H3,(H,19,22)
InChIKeySEIPMGNTIJAMOG-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.33
Rot. Bonds2

About N-(1-acetylpiperidin-4-yl)adamantane-1-carboxamide

N-(1-acetylpiperidin-4-yl)adamantane-1-carboxamide (PubChem CID 51203514) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)adamantane-1-carboxamide
PubChem CID51203514
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-(1-acetylpiperidin-4-yl)adamantane-1-carboxamide
SMILESCC(=O)N1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C18H28N2O2/c1-12(21)20-4-2-16(3-5-20)19-17(22)18-9-13-6-14(10-18)8-15(7-13)11-18/h13-16H,2-11H2,1H3,(H,19,22)
InChIKeySEIPMGNTIJAMOG-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Adamantane-1-carbonyl)-4-ethylpiperazine
CID 4348598
Tricyclo(3.3.1.13,7)decane-1-carboxamide, N-(2-(diethylamino)ethyl)-, hydrochloride (1:1)
CID 212874
2-Adamantan-1-yl-N-decyl-acetamide
CID 11382033
Adamantan-1-yl-piperazin-1-yl-methanone
CID 17233943
1-(Adamantane-1-carbonyl)-4-methylpiperazine
CID 2827468
1-[2-(Adamantane-1-carbonylamino)acetyl]piperidine-3-carboxamide
CID 4782419
2-(1-adamantyl)-N-cyclopropylacetamide
CID 5116038
N-Adamantan-2-yl-2-{1-[2-(4-ethyl-piperazin-1-yl)-2-oxo-ethyl]-cyclopentyl}-acetamide
CID 24947800
N-[2-(diethylamino)ethyl]-3,5-dimethyl-1-adamantanecarboxamide hydrochloride
CID 2850702
N-[1-[2-(dimethylamino)ethylamino]-1-oxopropan-2-yl]adamantane-1-carboxamide;hydrochloride
CID 6603536
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-[3-[2-[3-[4-(3-aminopropylamino)butylamino]propylamino]-2-oxoethyl]-1-adamantyl]acetamide
CID 10189295
2-(1-adamantyl)-N-[3-[3-(3-aminopropylamino)propylamino]propyl]acetamide
CID 44346643

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)adamantane-1-carboxamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)adamantane-1-carboxamide (CID 51203514) is N-(1-acetylpiperidin-4-yl)adamantane-1-carboxamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)adamantane-1-carboxamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)adamantane-1-carboxamide is CC(=O)N1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)adamantane-1-carboxamide?
The InChIKey is SEIPMGNTIJAMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-12(21)20-4-2-16(3-5-20)19-17(22)18-9-13-6-14(10-18)8-15(7-13)11-18/h13-16H,2-11H2,1H3,(H,19,22).
What are the key properties of N-(1-acetylpiperidin-4-yl)adamantane-1-carboxamide?
N-(1-acetylpiperidin-4-yl)adamantane-1-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)adamantane-1-carboxamide is sourced from PubChem (CID 51203514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).