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

C22H30ClN3O2 — CID 162667874

IUPACN-benzyl-3-[(dimethylamino)methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide;hydrochloride
SMILESCN(C)CC1CN(C(=O)NCc2ccccc2)CCC1(O)c1ccccc1.Cl
InChIInChI=1S/C22H29N3O2.ClH/c1-24(2)16-20-17-25(21(26)23-15-18-9-5-3-6-10-18)14-13-22(20,27)19-11-7-4-8-12-19;/h3-12,20,27H,13-17H2,1-2H3,(H,23,26);1H
InChIKeyVYMRZKRBGAZNGM-UHFFFAOYSA-N
MW403.95 g/mol
LogP3.09
Rot. Bonds5

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

N-benzyl-3-[(dimethylamino)methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide;hydrochloride (PubChem CID 162667874) has the molecular formula C22H30ClN3O2 and a molecular weight of 403.95 g/mol. Its IUPAC name is N-benzyl-3-[(dimethylamino)methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-benzyl-3-[(dimethylamino)methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide;hydrochloride
PubChem CID162667874
Molecular FormulaC22H30ClN3O2
Molecular Weight403.95 g/mol
Exact Mass403.20
IUPAC NameN-benzyl-3-[(dimethylamino)methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide;hydrochloride
SMILESCN(C)CC1CN(C(=O)NCc2ccccc2)CCC1(O)c1ccccc1.Cl
InChIInChI=1S/C22H29N3O2.ClH/c1-24(2)16-20-17-25(21(26)23-15-18-9-5-3-6-10-18)14-13-22(20,27)19-11-7-4-8-12-19;/h3-12,20,27H,13-17H2,1-2H3,(H,23,26);1H
InChIKeyVYMRZKRBGAZNGM-UHFFFAOYSA-N
XLogP3.09
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.95
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Piperidinol, 1-benzyl-4-phenyl-, hydrochloride
CID 3021339
4-(2-(Aminomethyl)phenyl)-1-benzylpiperidin-4-ol
CID 44430036
N-(2,4-dichlorobenzyl)-4-hydroxy-4-phenylpiperidine-1-carboxamide
CID 24748125
1-Allyl-3-benzyl-1-(1-(((3s,4r)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-yl)urea
CID 49798084
[2-[4-[Hydroxy(diphenyl)methyl]piperidin-1-yl]-2-oxoethyl]urea
CID 2541146
1-(4-Methyl-1-phenylpentyl)-4-phenylpiperidin-4-ol
CID 44426811
3-[(dimethylamino)methyl]-4-hydroxy-N,4-diphenylpiperidine-1-carboxamide;hydrochloride
CID 162655156
US11078186, Example 152
CID 153167910
US11078186, Example 141
CID 153313898
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 162370301
4-hydroxy-N-methyl-4-phenyl-N-(2-(piperidin-1-yl)ethyl)piperidine-1-carboxamide
CID 44579473
US9670210, Example 17 4-Phenyl-1-[(3-{[(trans-2-phenylcyclopropyl)amino]methyl}azetidin-1-yl)carbonyl]piperidin-4-ol
CID 118290835

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(dimethylamino)methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide;hydrochloride?
The IUPAC name of N-benzyl-3-[(dimethylamino)methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide;hydrochloride (CID 162667874) is N-benzyl-3-[(dimethylamino)methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide;hydrochloride.
What is the SMILES notation for N-benzyl-3-[(dimethylamino)methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide;hydrochloride?
The canonical SMILES for N-benzyl-3-[(dimethylamino)methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide;hydrochloride is CN(C)CC1CN(C(=O)NCc2ccccc2)CCC1(O)c1ccccc1.Cl.
What is the InChIKey of N-benzyl-3-[(dimethylamino)methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide;hydrochloride?
The InChIKey is VYMRZKRBGAZNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2.ClH/c1-24(2)16-20-17-25(21(26)23-15-18-9-5-3-6-10-18)14-13-22(20,27)19-11-7-4-8-12-19;/h3-12,20,27H,13-17H2,1-2H3,(H,23,26);1H.
What are the key properties of N-benzyl-3-[(dimethylamino)methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide;hydrochloride?
N-benzyl-3-[(dimethylamino)methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide;hydrochloride has a molecular weight of 403.95 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(dimethylamino)methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide;hydrochloride is sourced from PubChem (CID 162667874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).