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

C19H33ClN2O — CID 120555000

IUPAC3,5-dimethyl-N-(3-methylpiperidin-4-yl)adamantane-1-carboxamide;hydrochloride
SMILESCC1CNCCC1NC(=O)C12CC3CC(C)(CC(C)(C3)C1)C2.Cl
InChIInChI=1S/C19H32N2O.ClH/c1-13-9-20-5-4-15(13)21-16(22)19-8-14-6-17(2,11-19)10-18(3,7-14)12-19;/h13-15,20H,4-12H2,1-3H3,(H,21,22);1H
InChIKeyCJAPTMUUICNXKK-UHFFFAOYSA-N
MW340.94 g/mol
LogP3.52
Rot. Bonds2

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

3,5-dimethyl-N-(3-methylpiperidin-4-yl)adamantane-1-carboxamide;hydrochloride (PubChem CID 120555000) has the molecular formula C19H33ClN2O and a molecular weight of 340.94 g/mol. Its IUPAC name is 3,5-dimethyl-N-(3-methylpiperidin-4-yl)adamantane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3,5-dimethyl-N-(3-methylpiperidin-4-yl)adamantane-1-carboxamide;hydrochloride
PubChem CID120555000
Molecular FormulaC19H33ClN2O
Molecular Weight340.94 g/mol
Exact Mass340.23
IUPAC Name3,5-dimethyl-N-(3-methylpiperidin-4-yl)adamantane-1-carboxamide;hydrochloride
SMILESCC1CNCCC1NC(=O)C12CC3CC(C)(CC(C)(C3)C1)C2.Cl
InChIInChI=1S/C19H32N2O.ClH/c1-13-9-20-5-4-15(13)21-16(22)19-8-14-6-17(2,11-19)10-18(3,7-14)12-19;/h13-15,20H,4-12H2,1-3H3,(H,21,22);1H
InChIKeyCJAPTMUUICNXKK-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-N-pyrrolidin-3-yladamantane-1-carboxamide
CID 79997798
(3S,5S)-3-(fluoromethyl)-N-(3-methylpiperidin-4-yl)-5-phenyladamantane-1-carboxamide
CID 137435953
3,5-dimethyl-N-(2-methylpiperidin-4-yl)adamantane-1-carboxamide;hydrochloride
CID 120601324
3,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)adamantane-1-carboxamide;hydrochloride
CID 119534060
N-(3-hydroxycyclobutyl)-3,5-dimethyladamantane-1-carboxamide
CID 79998220
cis-(1S,3R)-3-[(3,5-dimethyladamantane-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120674802
N-[3-methyl-1-[(3-methylpiperidin-4-yl)amino]-1-oxobutan-2-yl]adamantane-1-carboxamide;hydrochloride
CID 120554576
1-(1-adamantyl)-3-(3-methylpiperidin-4-yl)urea
CID 79872877
N-[(3R,4R)-3-hydroxypiperidin-4-yl]adamantane-1-carboxamide
CID 122566890
(5S,7S)-N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-[4-[(1R,3R)-3-ethyl-5-[(3-methylpiperidin-4-yl)carbamoyl]-1-adamantyl]phenyl]-5-methyl-7-phenyladamantane-1-carboxamide
CID 167295259
(3R,5S)-3,5-dimethyl-N-propan-2-yladamantane-1-carboxamide
CID 92532292
1-cyclopropyl-3-(3-methylpiperidin-4-yl)urea
CID 79886101

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(3-methylpiperidin-4-yl)adamantane-1-carboxamide;hydrochloride?
The IUPAC name of 3,5-dimethyl-N-(3-methylpiperidin-4-yl)adamantane-1-carboxamide;hydrochloride (CID 120555000) is 3,5-dimethyl-N-(3-methylpiperidin-4-yl)adamantane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3,5-dimethyl-N-(3-methylpiperidin-4-yl)adamantane-1-carboxamide;hydrochloride?
The canonical SMILES for 3,5-dimethyl-N-(3-methylpiperidin-4-yl)adamantane-1-carboxamide;hydrochloride is CC1CNCCC1NC(=O)C12CC3CC(C)(CC(C)(C3)C1)C2.Cl.
What is the InChIKey of 3,5-dimethyl-N-(3-methylpiperidin-4-yl)adamantane-1-carboxamide;hydrochloride?
The InChIKey is CJAPTMUUICNXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O.ClH/c1-13-9-20-5-4-15(13)21-16(22)19-8-14-6-17(2,11-19)10-18(3,7-14)12-19;/h13-15,20H,4-12H2,1-3H3,(H,21,22);1H.
What are the key properties of 3,5-dimethyl-N-(3-methylpiperidin-4-yl)adamantane-1-carboxamide;hydrochloride?
3,5-dimethyl-N-(3-methylpiperidin-4-yl)adamantane-1-carboxamide;hydrochloride has a molecular weight of 340.94 g/mol, XLogP of 3.52, 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-(3-methylpiperidin-4-yl)adamantane-1-carboxamide;hydrochloride is sourced from PubChem (CID 120555000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).