N-(2-adamantyl)-4-hydroxy-4-phenylpiperidine-1-carboxamide

C22H30N2O2 — CID 46231491

IUPACN-(2-adamantyl)-4-hydroxy-4-phenylpiperidine-1-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C22H30N2O2/c25-21(23-20-17-11-15-10-16(13-17)14-18(20)12-15)24-8-6-22(26,7-9-24)19-4-2-1-3-5-19/h1-5,15-18,20,26H,6-14H2,(H,23,25)
InChIKeyXUAKWCDLTAPLGQ-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.50
Rot. Bonds2

About N-(2-adamantyl)-4-hydroxy-4-phenylpiperidine-1-carboxamide

N-(2-adamantyl)-4-hydroxy-4-phenylpiperidine-1-carboxamide (PubChem CID 46231491) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is N-(2-adamantyl)-4-hydroxy-4-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-4-hydroxy-4-phenylpiperidine-1-carboxamide
PubChem CID46231491
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC NameN-(2-adamantyl)-4-hydroxy-4-phenylpiperidine-1-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C22H30N2O2/c25-21(23-20-17-11-15-10-16(13-17)14-18(20)12-15)24-8-6-22(26,7-9-24)19-4-2-1-3-5-19/h1-5,15-18,20,26H,6-14H2,(H,23,25)
InChIKeyXUAKWCDLTAPLGQ-UHFFFAOYSA-N
XLogP3.50
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

US9670210, Example 17 4-Phenyl-1-[(3-{[(trans-2-phenylcyclopropyl)amino]methyl}azetidin-1-yl)carbonyl]piperidin-4-ol
CID 118290835
(4S*,4aS*,8aS*)-1-[(4-methyl-1-piperazinyl)carbonyl]-4-phenyldecahydro-4-quinolinol
CID 56881973
3-[(dimethylamino)methyl]-4-hydroxy-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide;hydrochloride
CID 162651909
N-(1-adamantyl)-3-[(dimethylamino)methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide;hydrochloride
CID 162652872
3-[(dimethylamino)methyl]-4-hydroxy-N-(3-hydroxy-1-adamantyl)-4-phenylpiperidine-1-carboxamide;hydrochloride
CID 162654110
N-[1-(1-adamantyl)ethyl]-3-[(dimethylamino)methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide;hydrochloride
CID 162657143
3-(Adamantan-1-yl)-1-(2-hydroxy-2-phenylpropyl)urea
CID 71796892
3-(4-Hydroxy-3,4,4-triphenylbutyl)-1,1-dimethylurea
CID 134836537
4-hydroxy-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 2978769
N-cyclohexyl-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 4361838
N-[(1R)-2-hydroxy-1-methyl-2,2-diphenylethyl]-N'-(1-methylpiperidin-4-yl)urea
CID 121500274
rac-(4S,4aS,8aR)-4-hydroxy-4-phenyl-N-(tetrahydro-2H-pyran-4-yl)octahydroquinoline-1(2H)-carboxamide
CID 121508363

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-4-hydroxy-4-phenylpiperidine-1-carboxamide?
The IUPAC name of N-(2-adamantyl)-4-hydroxy-4-phenylpiperidine-1-carboxamide (CID 46231491) is N-(2-adamantyl)-4-hydroxy-4-phenylpiperidine-1-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-4-hydroxy-4-phenylpiperidine-1-carboxamide?
The canonical SMILES for N-(2-adamantyl)-4-hydroxy-4-phenylpiperidine-1-carboxamide is O=C(NC1C2CC3CC(C2)CC1C3)N1CCC(O)(c2ccccc2)CC1.
What is the InChIKey of N-(2-adamantyl)-4-hydroxy-4-phenylpiperidine-1-carboxamide?
The InChIKey is XUAKWCDLTAPLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c25-21(23-20-17-11-15-10-16(13-17)14-18(20)12-15)24-8-6-22(26,7-9-24)19-4-2-1-3-5-19/h1-5,15-18,20,26H,6-14H2,(H,23,25).
What are the key properties of N-(2-adamantyl)-4-hydroxy-4-phenylpiperidine-1-carboxamide?
N-(2-adamantyl)-4-hydroxy-4-phenylpiperidine-1-carboxamide has a molecular weight of 354.49 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-4-hydroxy-4-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 46231491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).