2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-2-piperidin-3-ylpropanamide

C18H28N2O — CID 83200384

IUPAC2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-2-piperidin-3-ylpropanamide
SMILESCc1ccc([C@@H](C)NC(=O)C(C)(C)C2CCCNC2)cc1
InChIInChI=1S/C18H28N2O/c1-13-7-9-15(10-8-13)14(2)20-17(21)18(3,4)16-6-5-11-19-12-16/h7-10,14,16,19H,5-6,11-12H2,1-4H3,(H,20,21)/t14-,16?/m1/s1
InChIKeyWLWXSJGENAXTNL-IURRXHLWSA-N
MW288.44 g/mol
LogP3.20
Rot. Bonds4

About 2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-2-piperidin-3-ylpropanamide

2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-2-piperidin-3-ylpropanamide (PubChem CID 83200384) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-2-piperidin-3-ylpropanamide.

Molecular Properties

Compound Name2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-2-piperidin-3-ylpropanamide
PubChem CID83200384
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-2-piperidin-3-ylpropanamide
SMILESCc1ccc([C@@H](C)NC(=O)C(C)(C)C2CCCNC2)cc1
InChIInChI=1S/C18H28N2O/c1-13-7-9-15(10-8-13)14(2)20-17(21)18(3,4)16-6-5-11-19-12-16/h7-10,14,16,19H,5-6,11-12H2,1-4H3,(H,20,21)/t14-,16?/m1/s1
InChIKeyWLWXSJGENAXTNL-IURRXHLWSA-N
XLogP3.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83200383
N-[(1S)-1-(4-bromophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83200389
2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-2-piperidin-3-ylpropanamide
CID 83198706
N-[1-(3-fluorophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83034283
(3R)-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81355974
N-[(1S)-1-(4-methylphenyl)ethyl]-2-piperidin-3-ylacetamide
CID 81356926
N-[(1R)-1-cycloheptylethyl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83198749
N,2-dimethyl-2-piperidin-3-ylpropanamide
CID 83031239
N-(3,5-dimethylphenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83031146
2-cyclopropyl-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]acetic acid
CID 83198884
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83031807
2-methyl-N-(2-methylpropyl)-2-piperidin-3-ylpropanamide
CID 83032464

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-2-piperidin-3-ylpropanamide?
The IUPAC name of 2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-2-piperidin-3-ylpropanamide (CID 83200384) is 2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-2-piperidin-3-ylpropanamide.
What is the SMILES notation for 2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-2-piperidin-3-ylpropanamide?
The canonical SMILES for 2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-2-piperidin-3-ylpropanamide is Cc1ccc([C@@H](C)NC(=O)C(C)(C)C2CCCNC2)cc1.
What is the InChIKey of 2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-2-piperidin-3-ylpropanamide?
The InChIKey is WLWXSJGENAXTNL-IURRXHLWSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13-7-9-15(10-8-13)14(2)20-17(21)18(3,4)16-6-5-11-19-12-16/h7-10,14,16,19H,5-6,11-12H2,1-4H3,(H,20,21)/t14-,16?/m1/s1.
What are the key properties of 2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-2-piperidin-3-ylpropanamide?
2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-2-piperidin-3-ylpropanamide has a molecular weight of 288.44 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-2-piperidin-3-ylpropanamide is sourced from PubChem (CID 83200384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).