4-(1-adamantylcarbamoylamino)-N,N-diethylpiperidine-1-carboxamide

C21H36N4O2 — CID 3220721

IUPAC4-(1-adamantylcarbamoylamino)-N,N-diethylpiperidine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCC(NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C21H36N4O2/c1-3-24(4-2)20(27)25-7-5-18(6-8-25)22-19(26)23-21-12-15-9-16(13-21)11-17(10-15)14-21/h15-18H,3-14H2,1-2H3,(H2,22,23,26)
InChIKeyOGJYVOHMMMSREJ-UHFFFAOYSA-N
MW376.55 g/mol
LogP3.18
Rot. Bonds4

About 4-(1-adamantylcarbamoylamino)-N,N-diethylpiperidine-1-carboxamide

4-(1-adamantylcarbamoylamino)-N,N-diethylpiperidine-1-carboxamide (PubChem CID 3220721) has the molecular formula C21H36N4O2 and a molecular weight of 376.55 g/mol. Its IUPAC name is 4-(1-adamantylcarbamoylamino)-N,N-diethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1-adamantylcarbamoylamino)-N,N-diethylpiperidine-1-carboxamide
PubChem CID3220721
Molecular FormulaC21H36N4O2
Molecular Weight376.55 g/mol
Exact Mass376.28
IUPAC Name4-(1-adamantylcarbamoylamino)-N,N-diethylpiperidine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCC(NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C21H36N4O2/c1-3-24(4-2)20(27)25-7-5-18(6-8-25)22-19(26)23-21-12-15-9-16(13-21)11-17(10-15)14-21/h15-18H,3-14H2,1-2H3,(H2,22,23,26)
InChIKeyOGJYVOHMMMSREJ-UHFFFAOYSA-N
XLogP3.18
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-adamantyl)-3-[1-(2-methoxyacetyl)piperidin-4-yl]urea
CID 25073904
1-(1-adamantyl)-3-cyclopropylurea
CID 3128946
1-(1-acetylpiperidin-4-yl)-3-(3-ethyl-7-methyl-1-bicyclo[3.3.1]nonanyl)urea
CID 145315254
1-(1-adamantyl)-3-cyclododecylurea
CID 22978783
4-(2,2-dimethylpropanoylamino)-N,N-diethylpiperidine-1-carboxamide
CID 3694430
1-(1-adamantyl)-3-(4-oxocyclohexyl)urea
CID 16756507
N,N-diethyl-4-[(2-methoxyacetyl)amino]piperidine-1-carboxamide
CID 108562550
(2S)-2-[4-[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 51928773
4-(3-cyclohexylpropanoylamino)-N,N-diethylpiperidine-1-carboxamide
CID 108561969
N,N-diethyl-4-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]piperidine-1-carboxamide
CID 108560686
N,N-diethyl-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide
CID 108561438
pentyl 4-(1-adamantylcarbamoylamino)cyclohexane-1-carboxylate
CID 59168661

Frequently Asked Questions

What is the IUPAC name of 4-(1-adamantylcarbamoylamino)-N,N-diethylpiperidine-1-carboxamide?
The IUPAC name of 4-(1-adamantylcarbamoylamino)-N,N-diethylpiperidine-1-carboxamide (CID 3220721) is 4-(1-adamantylcarbamoylamino)-N,N-diethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(1-adamantylcarbamoylamino)-N,N-diethylpiperidine-1-carboxamide?
The canonical SMILES for 4-(1-adamantylcarbamoylamino)-N,N-diethylpiperidine-1-carboxamide is CCN(CC)C(=O)N1CCC(NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 4-(1-adamantylcarbamoylamino)-N,N-diethylpiperidine-1-carboxamide?
The InChIKey is OGJYVOHMMMSREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O2/c1-3-24(4-2)20(27)25-7-5-18(6-8-25)22-19(26)23-21-12-15-9-16(13-21)11-17(10-15)14-21/h15-18H,3-14H2,1-2H3,(H2,22,23,26).
What are the key properties of 4-(1-adamantylcarbamoylamino)-N,N-diethylpiperidine-1-carboxamide?
4-(1-adamantylcarbamoylamino)-N,N-diethylpiperidine-1-carboxamide has a molecular weight of 376.55 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-adamantylcarbamoylamino)-N,N-diethylpiperidine-1-carboxamide is sourced from PubChem (CID 3220721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).