N-(1-adamantylcarbamoyl)-2-(3-ethylpiperidin-1-yl)propanamide

C21H35N3O2 — CID 55682682

IUPACN-(1-adamantylcarbamoyl)-2-(3-ethylpiperidin-1-yl)propanamide
SMILESCCC1CCCN(C(C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C21H35N3O2/c1-3-15-5-4-6-24(13-15)14(2)19(25)22-20(26)23-21-10-16-7-17(11-21)9-18(8-16)12-21/h14-18H,3-13H2,1-2H3,(H2,22,23,25,26)
InChIKeyPHLGYILAUVGVPI-UHFFFAOYSA-N
MW361.53 g/mol
LogP3.29
Rot. Bonds4

About N-(1-adamantylcarbamoyl)-2-(3-ethylpiperidin-1-yl)propanamide

N-(1-adamantylcarbamoyl)-2-(3-ethylpiperidin-1-yl)propanamide (PubChem CID 55682682) has the molecular formula C21H35N3O2 and a molecular weight of 361.53 g/mol. Its IUPAC name is N-(1-adamantylcarbamoyl)-2-(3-ethylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(1-adamantylcarbamoyl)-2-(3-ethylpiperidin-1-yl)propanamide
PubChem CID55682682
Molecular FormulaC21H35N3O2
Molecular Weight361.53 g/mol
Exact Mass361.27
IUPAC NameN-(1-adamantylcarbamoyl)-2-(3-ethylpiperidin-1-yl)propanamide
SMILESCCC1CCCN(C(C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C21H35N3O2/c1-3-15-5-4-6-24(13-15)14(2)19(25)22-20(26)23-21-10-16-7-17(11-21)9-18(8-16)12-21/h14-18H,3-13H2,1-2H3,(H2,22,23,25,26)
InChIKeyPHLGYILAUVGVPI-UHFFFAOYSA-N
XLogP3.29
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[4-[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 51928773
1-[1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119908117
N-(1-adamantyl)-2-[3-(methylamino)piperidin-1-yl]propanamide
CID 119919985
N-(ethylcarbamoyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 60638694
(2S)-N-(1-adamantylcarbamoyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 29114565
(2S)-N-(1-adamantylcarbamoyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 9345941
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(ethylcarbamoyl)propanamide
CID 63763714
(2S)-N-(tert-butylcarbamoyl)-2-[(3R)-3-(sulfamoylmethyl)piperidin-1-yl]propanamide
CID 100906903
2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(ethylcarbamoyl)propanamide
CID 63848300
2-(3-ethylpyrrolidin-1-yl)-N-methylpropanamide
CID 126990123
N-(1-adamantylcarbamoyl)-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]propanamide
CID 55852279
(2R)-N-(1-adamantylcarbamoyl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]propanamide
CID 26424151

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylcarbamoyl)-2-(3-ethylpiperidin-1-yl)propanamide?
The IUPAC name of N-(1-adamantylcarbamoyl)-2-(3-ethylpiperidin-1-yl)propanamide (CID 55682682) is N-(1-adamantylcarbamoyl)-2-(3-ethylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(1-adamantylcarbamoyl)-2-(3-ethylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(1-adamantylcarbamoyl)-2-(3-ethylpiperidin-1-yl)propanamide is CCC1CCCN(C(C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C1.
What is the InChIKey of N-(1-adamantylcarbamoyl)-2-(3-ethylpiperidin-1-yl)propanamide?
The InChIKey is PHLGYILAUVGVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O2/c1-3-15-5-4-6-24(13-15)14(2)19(25)22-20(26)23-21-10-16-7-17(11-21)9-18(8-16)12-21/h14-18H,3-13H2,1-2H3,(H2,22,23,25,26).
What are the key properties of N-(1-adamantylcarbamoyl)-2-(3-ethylpiperidin-1-yl)propanamide?
N-(1-adamantylcarbamoyl)-2-(3-ethylpiperidin-1-yl)propanamide has a molecular weight of 361.53 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylcarbamoyl)-2-(3-ethylpiperidin-1-yl)propanamide is sourced from PubChem (CID 55682682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).