(5R)-N-(3,3-dimethylpiperidin-4-yl)-3-ethyl-5-phenyladamantane-1-carboxamide

C26H38N2O — CID 137436159

IUPAC(5R)-N-(3,3-dimethylpiperidin-4-yl)-3-ethyl-5-phenyladamantane-1-carboxamide
SMILESCCC12CC3CC(C(=O)NC4CCNCC4(C)C)(C1)C[C@@](c1ccccc1)(C3)C2
InChIInChI=1S/C26H38N2O/c1-4-24-12-19-13-25(15-24,20-8-6-5-7-9-20)17-26(14-19,16-24)22(29)28-21-10-11-27-18-23(21,2)3/h5-9,19,21,27H,4,10-18H2,1-3H3,(H,28,29)/t19?,21?,24?,25-,26?/m1/s1
InChIKeyUGYHWXIZDMJNEK-SYTDRHRASA-N
MW394.60 g/mol
LogP4.81
Rot. Bonds4

About (5R)-N-(3,3-dimethylpiperidin-4-yl)-3-ethyl-5-phenyladamantane-1-carboxamide

(5R)-N-(3,3-dimethylpiperidin-4-yl)-3-ethyl-5-phenyladamantane-1-carboxamide (PubChem CID 137436159) has the molecular formula C26H38N2O and a molecular weight of 394.60 g/mol. Its IUPAC name is (5R)-N-(3,3-dimethylpiperidin-4-yl)-3-ethyl-5-phenyladamantane-1-carboxamide.

Molecular Properties

Compound Name(5R)-N-(3,3-dimethylpiperidin-4-yl)-3-ethyl-5-phenyladamantane-1-carboxamide
PubChem CID137436159
Molecular FormulaC26H38N2O
Molecular Weight394.60 g/mol
Exact Mass394.30
IUPAC Name(5R)-N-(3,3-dimethylpiperidin-4-yl)-3-ethyl-5-phenyladamantane-1-carboxamide
SMILESCCC12CC3CC(C(=O)NC4CCNCC4(C)C)(C1)C[C@@](c1ccccc1)(C3)C2
InChIInChI=1S/C26H38N2O/c1-4-24-12-19-13-25(15-24,20-8-6-5-7-9-20)17-26(14-19,16-24)22(29)28-21-10-11-27-18-23(21,2)3/h5-9,19,21,27H,4,10-18H2,1-3H3,(H,28,29)/t19?,21?,24?,25-,26?/m1/s1
InChIKeyUGYHWXIZDMJNEK-SYTDRHRASA-N
XLogP4.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.60
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,5R)-N-(3,3-dimethylpiperidin-4-yl)-3-methyl-5-phenyladamantane-1-carboxamide
CID 137436163
(3S,5S)-3-(fluoromethyl)-5-phenyl-N-piperidin-4-yladamantane-1-carboxamide
CID 137435864
2-(3,3-dimethylpiperidin-4-yl)-1-[(3S,5R)-3-(2-fluoroethyl)-5-phenyl-1-adamantyl]ethanone
CID 157474360
(3R,5R)-N-(6-aminospiro[3.3]heptan-2-yl)-3-ethyl-5-phenyladamantane-1-carboxamide
CID 171762331
(3S,5S)-3-(fluoromethyl)-N-(3-methylpiperidin-4-yl)-5-phenyladamantane-1-carboxamide
CID 137435953
(7S)-N-(3,3-dimethylpiperidin-4-yl)-7-(ethoxymethyl)-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide
CID 142519870
(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
N-[(3-hydroxyazetidin-3-yl)methyl]-3-methyl-5-phenyladamantane-1-carboxamide
CID 130269312
(3S,5R)-3-(ethoxymethyl)-N-(4-methylcyclohexyl)-5-phenyladamantane-1-carboxamide
CID 175631093
1-[(3S,5R)-3-(ethoxymethyl)-5-phenyl-1-adamantyl]-2-piperidin-4-ylethanone
CID 157309682
N-(3,3-difluoropiperidin-4-yl)-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide;fluoroethane
CID 142520005
N-(4-aminocyclohexyl)-3-methyl-5-phenyladamantane-1-carboxamide
CID 152871733

Frequently Asked Questions

What is the IUPAC name of (5R)-N-(3,3-dimethylpiperidin-4-yl)-3-ethyl-5-phenyladamantane-1-carboxamide?
The IUPAC name of (5R)-N-(3,3-dimethylpiperidin-4-yl)-3-ethyl-5-phenyladamantane-1-carboxamide (CID 137436159) is (5R)-N-(3,3-dimethylpiperidin-4-yl)-3-ethyl-5-phenyladamantane-1-carboxamide.
What is the SMILES notation for (5R)-N-(3,3-dimethylpiperidin-4-yl)-3-ethyl-5-phenyladamantane-1-carboxamide?
The canonical SMILES for (5R)-N-(3,3-dimethylpiperidin-4-yl)-3-ethyl-5-phenyladamantane-1-carboxamide is CCC12CC3CC(C(=O)NC4CCNCC4(C)C)(C1)C[C@@](c1ccccc1)(C3)C2.
What is the InChIKey of (5R)-N-(3,3-dimethylpiperidin-4-yl)-3-ethyl-5-phenyladamantane-1-carboxamide?
The InChIKey is UGYHWXIZDMJNEK-SYTDRHRASA-N. The full InChI is InChI=1S/C26H38N2O/c1-4-24-12-19-13-25(15-24,20-8-6-5-7-9-20)17-26(14-19,16-24)22(29)28-21-10-11-27-18-23(21,2)3/h5-9,19,21,27H,4,10-18H2,1-3H3,(H,28,29)/t19?,21?,24?,25-,26?/m1/s1.
What are the key properties of (5R)-N-(3,3-dimethylpiperidin-4-yl)-3-ethyl-5-phenyladamantane-1-carboxamide?
(5R)-N-(3,3-dimethylpiperidin-4-yl)-3-ethyl-5-phenyladamantane-1-carboxamide has a molecular weight of 394.60 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(3,3-dimethylpiperidin-4-yl)-3-ethyl-5-phenyladamantane-1-carboxamide is sourced from PubChem (CID 137436159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).