N-methyl-N-piperidin-4-yladamantane-2-carboxamide;hydrochloride

C17H29ClN2O — CID 119443349

IUPACN-methyl-N-piperidin-4-yladamantane-2-carboxamide;hydrochloride
SMILESCN(C(=O)C1C2CC3CC(C2)CC1C3)C1CCNCC1.Cl
InChIInChI=1S/C17H28N2O.ClH/c1-19(15-2-4-18-5-3-15)17(20)16-13-7-11-6-12(9-13)10-14(16)8-11;/h11-16,18H,2-10H2,1H3;1H
InChIKeyWEXPGMFNPACNPH-UHFFFAOYSA-N
MW312.89 g/mol
LogP2.69
Rot. Bonds2

About N-methyl-N-piperidin-4-yladamantane-2-carboxamide;hydrochloride

N-methyl-N-piperidin-4-yladamantane-2-carboxamide;hydrochloride (PubChem CID 119443349) has the molecular formula C17H29ClN2O and a molecular weight of 312.89 g/mol. Its IUPAC name is N-methyl-N-piperidin-4-yladamantane-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-piperidin-4-yladamantane-2-carboxamide;hydrochloride
PubChem CID119443349
Molecular FormulaC17H29ClN2O
Molecular Weight312.89 g/mol
Exact Mass312.20
IUPAC NameN-methyl-N-piperidin-4-yladamantane-2-carboxamide;hydrochloride
SMILESCN(C(=O)C1C2CC3CC(C2)CC1C3)C1CCNCC1.Cl
InChIInChI=1S/C17H28N2O.ClH/c1-19(15-2-4-18-5-3-15)17(20)16-13-7-11-6-12(9-13)10-14(16)8-11;/h11-16,18H,2-10H2,1H3;1H
InChIKeyWEXPGMFNPACNPH-UHFFFAOYSA-N
XLogP2.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.89
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-pyrrolidin-3-yladamantane-2-carboxamide;hydrochloride
CID 119553032
N-methyl-N-(piperidin-4-ylmethyl)adamantane-2-carboxamide
CID 81098696
N-methyl-N-piperidin-4-ylbicyclo[3.1.0]hexane-6-carboxamide
CID 81480295
N-cyclobutyl-N-methylpiperidine-4-carboxamide
CID 115734286
N-cyclohexyl-N-methylpiperidine-4-carboxamide;hydrochloride
CID 56831937
2-(1-adamantyl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119442602
N-(2-hydroxycyclohexyl)-N-methyladamantane-2-carboxamide
CID 102635247
N-methyl-N-piperidin-4-yloxolane-2-carboxamide;hydrochloride
CID 119260019
N-(2-adamantyl)-N-methylpyrrolidine-3-carboxamide
CID 55149876
2-hydroxy-N-methyl-N-piperidin-4-ylacetamide
CID 89098845
N-methyl-N-(3-methylcyclohexyl)piperidine-4-carboxamide;hydrochloride
CID 119285985
(3R)-N-cyclopropyl-N-methylpyrrolidine-3-carboxamide
CID 94915741

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-piperidin-4-yladamantane-2-carboxamide;hydrochloride?
The IUPAC name of N-methyl-N-piperidin-4-yladamantane-2-carboxamide;hydrochloride (CID 119443349) is N-methyl-N-piperidin-4-yladamantane-2-carboxamide;hydrochloride.
What is the SMILES notation for N-methyl-N-piperidin-4-yladamantane-2-carboxamide;hydrochloride?
The canonical SMILES for N-methyl-N-piperidin-4-yladamantane-2-carboxamide;hydrochloride is CN(C(=O)C1C2CC3CC(C2)CC1C3)C1CCNCC1.Cl.
What is the InChIKey of N-methyl-N-piperidin-4-yladamantane-2-carboxamide;hydrochloride?
The InChIKey is WEXPGMFNPACNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O.ClH/c1-19(15-2-4-18-5-3-15)17(20)16-13-7-11-6-12(9-13)10-14(16)8-11;/h11-16,18H,2-10H2,1H3;1H.
What are the key properties of N-methyl-N-piperidin-4-yladamantane-2-carboxamide;hydrochloride?
N-methyl-N-piperidin-4-yladamantane-2-carboxamide;hydrochloride has a molecular weight of 312.89 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-piperidin-4-yladamantane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119443349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).