N-(1-adamantyl)-2-[3-(methylamino)piperidin-1-yl]propanamide

C19H33N3O — CID 119919985

IUPACN-(1-adamantyl)-2-[3-(methylamino)piperidin-1-yl]propanamide
SMILESCNC1CCCN(C(C)C(=O)NC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C19H33N3O/c1-13(22-5-3-4-17(12-22)20-2)18(23)21-19-9-14-6-15(10-19)8-16(7-14)11-19/h13-17,20H,3-12H2,1-2H3,(H,21,23)
InChIKeyYDTKIWVHIIBMLN-UHFFFAOYSA-N
MW319.49 g/mol
LogP2.14
Rot. Bonds4

About N-(1-adamantyl)-2-[3-(methylamino)piperidin-1-yl]propanamide

N-(1-adamantyl)-2-[3-(methylamino)piperidin-1-yl]propanamide (PubChem CID 119919985) has the molecular formula C19H33N3O and a molecular weight of 319.49 g/mol. Its IUPAC name is N-(1-adamantyl)-2-[3-(methylamino)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-[3-(methylamino)piperidin-1-yl]propanamide
PubChem CID119919985
Molecular FormulaC19H33N3O
Molecular Weight319.49 g/mol
Exact Mass319.26
IUPAC NameN-(1-adamantyl)-2-[3-(methylamino)piperidin-1-yl]propanamide
SMILESCNC1CCCN(C(C)C(=O)NC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C19H33N3O/c1-13(22-5-3-4-17(12-22)20-2)18(23)21-19-9-14-6-15(10-19)8-16(7-14)11-19/h13-17,20H,3-12H2,1-2H3,(H,21,23)
InChIKeyYDTKIWVHIIBMLN-UHFFFAOYSA-N
XLogP2.14
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-adamantyl)-2-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]propanamide
CID 119036492
N-(1-adamantylcarbamoyl)-2-(3-ethylpiperidin-1-yl)propanamide
CID 55682682
N-butyl-2-[3-(methylamino)piperidin-1-yl]propanamide
CID 55086301
1-(3,5-dimethylpiperidin-1-yl)-2-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119918311
1-(3,5-dimethylpiperidin-1-yl)-2-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119918310
(2S)-2-[4-[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 51928773
N-(benzylcarbamoyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
CID 119918549
(2S)-N-(1-adamantyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 124839965
2-[3-(methylamino)piperidin-1-yl]-N-(1-phenylethyl)propanamide;hydrochloride
CID 119920377
N-[1-[1-(1-adamantylamino)-1-oxopropan-2-yl]piperidin-4-yl]thiophene-3-carboxamide
CID 47550076
N-(2,6-difluorophenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
CID 119918498
4-[2-[3-(methylamino)piperidin-1-yl]propanoylamino]benzamide
CID 119920088

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-[3-(methylamino)piperidin-1-yl]propanamide?
The IUPAC name of N-(1-adamantyl)-2-[3-(methylamino)piperidin-1-yl]propanamide (CID 119919985) is N-(1-adamantyl)-2-[3-(methylamino)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(1-adamantyl)-2-[3-(methylamino)piperidin-1-yl]propanamide?
The canonical SMILES for N-(1-adamantyl)-2-[3-(methylamino)piperidin-1-yl]propanamide is CNC1CCCN(C(C)C(=O)NC23CC4CC(CC(C4)C2)C3)C1.
What is the InChIKey of N-(1-adamantyl)-2-[3-(methylamino)piperidin-1-yl]propanamide?
The InChIKey is YDTKIWVHIIBMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O/c1-13(22-5-3-4-17(12-22)20-2)18(23)21-19-9-14-6-15(10-19)8-16(7-14)11-19/h13-17,20H,3-12H2,1-2H3,(H,21,23).
What are the key properties of N-(1-adamantyl)-2-[3-(methylamino)piperidin-1-yl]propanamide?
N-(1-adamantyl)-2-[3-(methylamino)piperidin-1-yl]propanamide has a molecular weight of 319.49 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-[3-(methylamino)piperidin-1-yl]propanamide is sourced from PubChem (CID 119919985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).