N-(1-adamantyl)-3-[(dimethylamino)methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide;hydrochloride

C25H38ClN3O2 — CID 162652872

IUPACN-(1-adamantyl)-3-[(dimethylamino)methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide;hydrochloride
SMILESCN(C)CC1CN(C(=O)NC23CC4CC(CC(C4)C2)C3)CCC1(O)c1ccccc1.Cl
InChIInChI=1S/C25H37N3O2.ClH/c1-27(2)16-22-17-28(9-8-25(22,30)21-6-4-3-5-7-21)23(29)26-24-13-18-10-19(14-24)12-20(11-18)15-24;/h3-7,18-20,22,30H,8-17H2,1-2H3,(H,26,29);1H
InChIKeyNWIMQPCIGSJGHH-UHFFFAOYSA-N
MW448.05 g/mol
LogP3.86
Rot. Bonds4

About N-(1-adamantyl)-3-[(dimethylamino)methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide;hydrochloride

N-(1-adamantyl)-3-[(dimethylamino)methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide;hydrochloride (PubChem CID 162652872) has the molecular formula C25H38ClN3O2 and a molecular weight of 448.05 g/mol. Its IUPAC name is N-(1-adamantyl)-3-[(dimethylamino)methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-adamantyl)-3-[(dimethylamino)methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide;hydrochloride
PubChem CID162652872
Molecular FormulaC25H38ClN3O2
Molecular Weight448.05 g/mol
Exact Mass447.27
IUPAC NameN-(1-adamantyl)-3-[(dimethylamino)methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide;hydrochloride
SMILESCN(C)CC1CN(C(=O)NC23CC4CC(CC(C4)C2)C3)CCC1(O)c1ccccc1.Cl
InChIInChI=1S/C25H37N3O2.ClH/c1-27(2)16-22-17-28(9-8-25(22,30)21-6-4-3-5-7-21)23(29)26-24-13-18-10-19(14-24)12-20(11-18)15-24;/h3-7,18-20,22,30H,8-17H2,1-2H3,(H,26,29);1H
InChIKeyNWIMQPCIGSJGHH-UHFFFAOYSA-N
XLogP3.86
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.05
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-3-[(dimethylamino)methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide;hydrochloride?
The IUPAC name of N-(1-adamantyl)-3-[(dimethylamino)methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide;hydrochloride (CID 162652872) is N-(1-adamantyl)-3-[(dimethylamino)methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-adamantyl)-3-[(dimethylamino)methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide;hydrochloride?
The canonical SMILES for N-(1-adamantyl)-3-[(dimethylamino)methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide;hydrochloride is CN(C)CC1CN(C(=O)NC23CC4CC(CC(C4)C2)C3)CCC1(O)c1ccccc1.Cl.
What is the InChIKey of N-(1-adamantyl)-3-[(dimethylamino)methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide;hydrochloride?
The InChIKey is NWIMQPCIGSJGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O2.ClH/c1-27(2)16-22-17-28(9-8-25(22,30)21-6-4-3-5-7-21)23(29)26-24-13-18-10-19(14-24)12-20(11-18)15-24;/h3-7,18-20,22,30H,8-17H2,1-2H3,(H,26,29);1H.
What are the key properties of N-(1-adamantyl)-3-[(dimethylamino)methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide;hydrochloride?
N-(1-adamantyl)-3-[(dimethylamino)methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide;hydrochloride has a molecular weight of 448.05 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-3-[(dimethylamino)methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide;hydrochloride is sourced from PubChem (CID 162652872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).