3,5-dimethyl-N-(2-methylpiperidin-4-yl)adamantane-1-carboxamide;hydrochloride

C19H33ClN2O — CID 120601324

IUPAC3,5-dimethyl-N-(2-methylpiperidin-4-yl)adamantane-1-carboxamide;hydrochloride
SMILESCC1CC(NC(=O)C23CC4CC(C)(CC(C)(C4)C2)C3)CCN1.Cl
InChIInChI=1S/C19H32N2O.ClH/c1-13-6-15(4-5-20-13)21-16(22)19-9-14-7-17(2,11-19)10-18(3,8-14)12-19;/h13-15,20H,4-12H2,1-3H3,(H,21,22);1H
InChIKeyVNBYEBHPIWHEEU-UHFFFAOYSA-N
MW340.94 g/mol
LogP3.66
Rot. Bonds2

About 3,5-dimethyl-N-(2-methylpiperidin-4-yl)adamantane-1-carboxamide;hydrochloride

3,5-dimethyl-N-(2-methylpiperidin-4-yl)adamantane-1-carboxamide;hydrochloride (PubChem CID 120601324) has the molecular formula C19H33ClN2O and a molecular weight of 340.94 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2-methylpiperidin-4-yl)adamantane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3,5-dimethyl-N-(2-methylpiperidin-4-yl)adamantane-1-carboxamide;hydrochloride
PubChem CID120601324
Molecular FormulaC19H33ClN2O
Molecular Weight340.94 g/mol
Exact Mass340.23
IUPAC Name3,5-dimethyl-N-(2-methylpiperidin-4-yl)adamantane-1-carboxamide;hydrochloride
SMILESCC1CC(NC(=O)C23CC4CC(C)(CC(C)(C4)C2)C3)CCN1.Cl
InChIInChI=1S/C19H32N2O.ClH/c1-13-6-15(4-5-20-13)21-16(22)19-9-14-7-17(2,11-19)10-18(3,8-14)12-19;/h13-15,20H,4-12H2,1-3H3,(H,21,22);1H
InChIKeyVNBYEBHPIWHEEU-UHFFFAOYSA-N
XLogP3.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.94
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,3R)-3-[(3,5-dimethyladamantane-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120674802
3,5-dimethyl-N-pyrrolidin-3-yladamantane-1-carboxamide
CID 79997798
N-(3-hydroxycyclobutyl)-3,5-dimethyladamantane-1-carboxamide
CID 79998220
(3R,5S)-N-[(7R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3,5-dimethyladamantane-1-carboxamide
CID 124856853
2,2-dimethyl-N-(2-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride
CID 120599635
3,5-dimethyl-N-(3-methylpiperidin-4-yl)adamantane-1-carboxamide;hydrochloride
CID 120555000
(3S,5R)-5-ethyl-N-[(2R,4S)-2-methylpiperidin-4-yl]-3-phenyltetracyclo[5.3.1.03,9.05,9]undecane-1-carboxamide
CID 137436215
[(2R,4R)-2-methylpiperidin-4-yl]carbamic acid
CID 146485805
2-methyl-N-(2-methylpiperidin-4-yl)piperidine-2-carboxamide
CID 122081327
1-ethyl-N-(2-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride
CID 120601589
(3R,5S)-3,5-dimethyl-N-propan-2-yladamantane-1-carboxamide
CID 92532292
2-cyclobutyl-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120599149

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2-methylpiperidin-4-yl)adamantane-1-carboxamide;hydrochloride?
The IUPAC name of 3,5-dimethyl-N-(2-methylpiperidin-4-yl)adamantane-1-carboxamide;hydrochloride (CID 120601324) is 3,5-dimethyl-N-(2-methylpiperidin-4-yl)adamantane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3,5-dimethyl-N-(2-methylpiperidin-4-yl)adamantane-1-carboxamide;hydrochloride?
The canonical SMILES for 3,5-dimethyl-N-(2-methylpiperidin-4-yl)adamantane-1-carboxamide;hydrochloride is CC1CC(NC(=O)C23CC4CC(C)(CC(C)(C4)C2)C3)CCN1.Cl.
What is the InChIKey of 3,5-dimethyl-N-(2-methylpiperidin-4-yl)adamantane-1-carboxamide;hydrochloride?
The InChIKey is VNBYEBHPIWHEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O.ClH/c1-13-6-15(4-5-20-13)21-16(22)19-9-14-7-17(2,11-19)10-18(3,8-14)12-19;/h13-15,20H,4-12H2,1-3H3,(H,21,22);1H.
What are the key properties of 3,5-dimethyl-N-(2-methylpiperidin-4-yl)adamantane-1-carboxamide;hydrochloride?
3,5-dimethyl-N-(2-methylpiperidin-4-yl)adamantane-1-carboxamide;hydrochloride has a molecular weight of 340.94 g/mol, XLogP of 3.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2-methylpiperidin-4-yl)adamantane-1-carboxamide;hydrochloride is sourced from PubChem (CID 120601324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).