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

C25H38ClN3O3 — CID 162654110

IUPAC3-[(dimethylamino)methyl]-4-hydroxy-N-(3-hydroxy-1-adamantyl)-4-phenylpiperidine-1-carboxamide;hydrochloride
SMILESCN(C)CC1CN(C(=O)NC23CC4CC(CC(O)(C4)C2)C3)CCC1(O)c1ccccc1.Cl
InChIInChI=1S/C25H37N3O3.ClH/c1-27(2)15-21-16-28(9-8-25(21,31)20-6-4-3-5-7-20)22(29)26-23-11-18-10-19(12-23)14-24(30,13-18)17-23;/h3-7,18-19,21,30-31H,8-17H2,1-2H3,(H,26,29);1H
InChIKeyVDPYRUVFGSSBFK-UHFFFAOYSA-N
MW464.05 g/mol
LogP2.97
Rot. Bonds4

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

3-[(dimethylamino)methyl]-4-hydroxy-N-(3-hydroxy-1-adamantyl)-4-phenylpiperidine-1-carboxamide;hydrochloride (PubChem CID 162654110) has the molecular formula C25H38ClN3O3 and a molecular weight of 464.05 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-4-hydroxy-N-(3-hydroxy-1-adamantyl)-4-phenylpiperidine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-4-hydroxy-N-(3-hydroxy-1-adamantyl)-4-phenylpiperidine-1-carboxamide;hydrochloride
PubChem CID162654110
Molecular FormulaC25H38ClN3O3
Molecular Weight464.05 g/mol
Exact Mass463.26
IUPAC Name3-[(dimethylamino)methyl]-4-hydroxy-N-(3-hydroxy-1-adamantyl)-4-phenylpiperidine-1-carboxamide;hydrochloride
SMILESCN(C)CC1CN(C(=O)NC23CC4CC(CC(O)(C4)C2)C3)CCC1(O)c1ccccc1.Cl
InChIInChI=1S/C25H37N3O3.ClH/c1-27(2)15-21-16-28(9-8-25(21,31)20-6-4-3-5-7-20)22(29)26-23-11-18-10-19(12-23)14-24(30,13-18)17-23;/h3-7,18-19,21,30-31H,8-17H2,1-2H3,(H,26,29);1H
InChIKeyVDPYRUVFGSSBFK-UHFFFAOYSA-N
XLogP2.97
TPSA76.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.05
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-4-hydroxy-N-(3-hydroxy-1-adamantyl)-4-phenylpiperidine-1-carboxamide;hydrochloride?
The IUPAC name of 3-[(dimethylamino)methyl]-4-hydroxy-N-(3-hydroxy-1-adamantyl)-4-phenylpiperidine-1-carboxamide;hydrochloride (CID 162654110) is 3-[(dimethylamino)methyl]-4-hydroxy-N-(3-hydroxy-1-adamantyl)-4-phenylpiperidine-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-[(dimethylamino)methyl]-4-hydroxy-N-(3-hydroxy-1-adamantyl)-4-phenylpiperidine-1-carboxamide;hydrochloride?
The canonical SMILES for 3-[(dimethylamino)methyl]-4-hydroxy-N-(3-hydroxy-1-adamantyl)-4-phenylpiperidine-1-carboxamide;hydrochloride is CN(C)CC1CN(C(=O)NC23CC4CC(CC(O)(C4)C2)C3)CCC1(O)c1ccccc1.Cl.
What is the InChIKey of 3-[(dimethylamino)methyl]-4-hydroxy-N-(3-hydroxy-1-adamantyl)-4-phenylpiperidine-1-carboxamide;hydrochloride?
The InChIKey is VDPYRUVFGSSBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O3.ClH/c1-27(2)15-21-16-28(9-8-25(21,31)20-6-4-3-5-7-20)22(29)26-23-11-18-10-19(12-23)14-24(30,13-18)17-23;/h3-7,18-19,21,30-31H,8-17H2,1-2H3,(H,26,29);1H.
What are the key properties of 3-[(dimethylamino)methyl]-4-hydroxy-N-(3-hydroxy-1-adamantyl)-4-phenylpiperidine-1-carboxamide;hydrochloride?
3-[(dimethylamino)methyl]-4-hydroxy-N-(3-hydroxy-1-adamantyl)-4-phenylpiperidine-1-carboxamide;hydrochloride has a molecular weight of 464.05 g/mol, XLogP of 2.97, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-4-hydroxy-N-(3-hydroxy-1-adamantyl)-4-phenylpiperidine-1-carboxamide;hydrochloride is sourced from PubChem (CID 162654110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).