3-methyl-N-(2-methyl-2-phenylpropyl)piperidine-3-carboxamide;hydrochloride

C17H27ClN2O — CID 119944553

IUPAC3-methyl-N-(2-methyl-2-phenylpropyl)piperidine-3-carboxamide;hydrochloride
SMILESCC1(C(=O)NCC(C)(C)c2ccccc2)CCCNC1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-16(2,14-8-5-4-6-9-14)12-19-15(20)17(3)10-7-11-18-13-17;/h4-6,8-9,18H,7,10-13H2,1-3H3,(H,19,20);1H
InChIKeyMBLWMHPXIFEJGI-UHFFFAOYSA-N
MW310.87 g/mol
LogP2.89
Rot. Bonds4

About 3-methyl-N-(2-methyl-2-phenylpropyl)piperidine-3-carboxamide;hydrochloride

3-methyl-N-(2-methyl-2-phenylpropyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119944553) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 3-methyl-N-(2-methyl-2-phenylpropyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-(2-methyl-2-phenylpropyl)piperidine-3-carboxamide;hydrochloride
PubChem CID119944553
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name3-methyl-N-(2-methyl-2-phenylpropyl)piperidine-3-carboxamide;hydrochloride
SMILESCC1(C(=O)NCC(C)(C)c2ccccc2)CCCNC1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-16(2,14-8-5-4-6-9-14)12-19-15(20)17(3)10-7-11-18-13-17;/h4-6,8-9,18H,7,10-13H2,1-3H3,(H,19,20);1H
InChIKeyMBLWMHPXIFEJGI-UHFFFAOYSA-N
XLogP2.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119945485
2-hydroxy-2-methyl-3-[(3-methylpiperidine-3-carbonyl)amino]propanoic acid
CID 66177466
3-methyl-N-(2-methyl-2-methylsulfanylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119945555
3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119944209
N-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 55176835
(3R)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 92864096
3-methyl-N-(3-phenoxypropyl)piperidine-3-carboxamide
CID 63133086
3-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 79749345
3-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119946915
3-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide;dihydrochloride
CID 119946078
N-[(4-hydroxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 113357142
N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
CID 103822034

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methyl-2-phenylpropyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of 3-methyl-N-(2-methyl-2-phenylpropyl)piperidine-3-carboxamide;hydrochloride (CID 119944553) is 3-methyl-N-(2-methyl-2-phenylpropyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-(2-methyl-2-phenylpropyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for 3-methyl-N-(2-methyl-2-phenylpropyl)piperidine-3-carboxamide;hydrochloride is CC1(C(=O)NCC(C)(C)c2ccccc2)CCCNC1.Cl.
What is the InChIKey of 3-methyl-N-(2-methyl-2-phenylpropyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is MBLWMHPXIFEJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-16(2,14-8-5-4-6-9-14)12-19-15(20)17(3)10-7-11-18-13-17;/h4-6,8-9,18H,7,10-13H2,1-3H3,(H,19,20);1H.
What are the key properties of 3-methyl-N-(2-methyl-2-phenylpropyl)piperidine-3-carboxamide;hydrochloride?
3-methyl-N-(2-methyl-2-phenylpropyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methyl-2-phenylpropyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119944553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).