N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]piperidine-3-carboxamide;hydrochloride

C20H33ClN2O2 — CID 119320715

IUPACN-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]piperidine-3-carboxamide;hydrochloride
SMILESCC(C)COc1ccc(C(C)(C)CNC(=O)C2CCCNC2)cc1.Cl
InChIInChI=1S/C20H32N2O2.ClH/c1-15(2)13-24-18-9-7-17(8-10-18)20(3,4)14-22-19(23)16-6-5-11-21-12-16;/h7-10,15-16,21H,5-6,11-14H2,1-4H3,(H,22,23);1H
InChIKeyJQAXUJSHXBLYET-UHFFFAOYSA-N
MW368.95 g/mol
LogP3.54
Rot. Bonds7

About N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]piperidine-3-carboxamide;hydrochloride

N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119320715) has the molecular formula C20H33ClN2O2 and a molecular weight of 368.95 g/mol. Its IUPAC name is N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119320715
Molecular FormulaC20H33ClN2O2
Molecular Weight368.95 g/mol
Exact Mass368.22
IUPAC NameN-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]piperidine-3-carboxamide;hydrochloride
SMILESCC(C)COc1ccc(C(C)(C)CNC(=O)C2CCCNC2)cc1.Cl
InChIInChI=1S/C20H32N2O2.ClH/c1-15(2)13-24-18-9-7-17(8-10-18)20(3,4)14-22-19(23)16-6-5-11-21-12-16;/h7-10,15-16,21H,5-6,11-14H2,1-4H3,(H,22,23);1H
InChIKeyJQAXUJSHXBLYET-UHFFFAOYSA-N
XLogP3.54
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.95
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]morpholine-2-carboxamide;hydrochloride
CID 119778685
N-[2-(4-ethylphenyl)-2-methylpropyl]piperidine-3-carboxamide;hydrochloride
CID 119334163
N-[2-(3,4-dichlorophenyl)-2-methylpropyl]piperidine-3-carboxamide;hydrochloride
CID 119311595
N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]-2-pyrrolidin-2-ylacetamide
CID 119778688
2-methyl-2-[4-(2-methylpropoxy)phenyl]-N-piperidin-3-ylpropanamide
CID 119426016
N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 126770196
2-(cyclopropylmethylamino)-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]acetamide
CID 119778674
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119277649
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperidine-3-carboxamide
CID 119305008
3-amino-2-methyl-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]butanamide;hydrochloride
CID 120500609
4-[[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]amino]cyclohexane-1-carboxylic acid
CID 122031136
2-methyl-2-[4-(2-methylpropoxy)phenyl]-N-pyrrolidin-3-ylpropanamide
CID 119451190

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]piperidine-3-carboxamide;hydrochloride (CID 119320715) is N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]piperidine-3-carboxamide;hydrochloride is CC(C)COc1ccc(C(C)(C)CNC(=O)C2CCCNC2)cc1.Cl.
What is the InChIKey of N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is JQAXUJSHXBLYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2.ClH/c1-15(2)13-24-18-9-7-17(8-10-18)20(3,4)14-22-19(23)16-6-5-11-21-12-16;/h7-10,15-16,21H,5-6,11-14H2,1-4H3,(H,22,23);1H.
What are the key properties of N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]piperidine-3-carboxamide;hydrochloride?
N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 368.95 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119320715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).