2-(1-adamantyl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride

C18H31ClN2O — CID 119442602

IUPAC2-(1-adamantyl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
SMILESCN(C(=O)CC12CC3CC(CC(C3)C1)C2)C1CCNCC1.Cl
InChIInChI=1S/C18H30N2O.ClH/c1-20(16-2-4-19-5-3-16)17(21)12-18-9-13-6-14(10-18)8-15(7-13)11-18;/h13-16,19H,2-12H2,1H3;1H
InChIKeyNNRRGRSYFMPFMM-UHFFFAOYSA-N
MW326.91 g/mol
LogP3.23
Rot. Bonds3

About 2-(1-adamantyl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride

2-(1-adamantyl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride (PubChem CID 119442602) has the molecular formula C18H31ClN2O and a molecular weight of 326.91 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(1-adamantyl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
PubChem CID119442602
Molecular FormulaC18H31ClN2O
Molecular Weight326.91 g/mol
Exact Mass326.21
IUPAC Name2-(1-adamantyl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
SMILESCN(C(=O)CC12CC3CC(CC(C3)C1)C2)C1CCNCC1.Cl
InChIInChI=1S/C18H30N2O.ClH/c1-20(16-2-4-19-5-3-16)17(21)12-18-9-13-6-14(10-18)8-15(7-13)11-18;/h13-16,19H,2-12H2,1H3;1H
InChIKeyNNRRGRSYFMPFMM-UHFFFAOYSA-N
XLogP3.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.91
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-adamantylcarbamoylamino)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119443814
2-hydroxy-N-methyl-N-piperidin-4-ylacetamide
CID 89098845
2-[3-[2-(dimethylamino)-2-oxoethyl]-1-adamantyl]-N,N-dimethylacetamide
CID 2882420
N-methyl-N-piperidin-4-yladamantane-2-carboxamide;hydrochloride
CID 119443349
3-cyclopropyl-N-methyl-N-piperidin-4-ylpropanamide
CID 119441464
N-methyl-N-piperidin-4-yl-2-(thian-4-yl)acetamide
CID 83137303
N-[2-(1-adamantyl)ethyl]-N-methylpyrrolidin-3-amine
CID 63301466
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7251696
N-methyl-N-(4-methylcyclohexyl)-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride
CID 119912963
N-methyl-N-piperidin-4-ylheptanamide
CID 115736784
N-methyl-3-methylsulfonyl-N-piperidin-4-ylpropanamide
CID 61003895
N-methyl-N-piperidin-4-yl-2-thiophen-3-ylacetamide;hydrochloride
CID 71641436

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride?
The IUPAC name of 2-(1-adamantyl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride (CID 119442602) is 2-(1-adamantyl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride.
What is the SMILES notation for 2-(1-adamantyl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride?
The canonical SMILES for 2-(1-adamantyl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride is CN(C(=O)CC12CC3CC(CC(C3)C1)C2)C1CCNCC1.Cl.
What is the InChIKey of 2-(1-adamantyl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride?
The InChIKey is NNRRGRSYFMPFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O.ClH/c1-20(16-2-4-19-5-3-16)17(21)12-18-9-13-6-14(10-18)8-15(7-13)11-18;/h13-16,19H,2-12H2,1H3;1H.
What are the key properties of 2-(1-adamantyl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride?
2-(1-adamantyl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride has a molecular weight of 326.91 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride is sourced from PubChem (CID 119442602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).