2-(2-methylphenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylacetamide

C18H28N2O — CID 106628910

IUPAC2-(2-methylphenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylacetamide
SMILESCc1ccccc1CC(=O)N(CC1CCCNC1)C(C)C
InChIInChI=1S/C18H28N2O/c1-14(2)20(13-16-8-6-10-19-12-16)18(21)11-17-9-5-4-7-15(17)3/h4-5,7,9,14,16,19H,6,8,10-13H2,1-3H3
InChIKeyZYHUZLQRBUXYAA-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.77
Rot. Bonds5

About 2-(2-methylphenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylacetamide

2-(2-methylphenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylacetamide (PubChem CID 106628910) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylacetamide
PubChem CID106628910
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-(2-methylphenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylacetamide
SMILESCc1ccccc1CC(=O)N(CC1CCCNC1)C(C)C
InChIInChI=1S/C18H28N2O/c1-14(2)20(13-16-8-6-10-19-12-16)18(21)11-17-9-5-4-7-15(17)3/h4-5,7,9,14,16,19H,6,8,10-13H2,1-3H3
InChIKeyZYHUZLQRBUXYAA-UHFFFAOYSA-N
XLogP2.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-hydroxyphenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylacetamide
CID 106629125
2-(2-bromophenyl)-N-methyl-N-(piperidin-3-ylmethyl)acetamide
CID 84606471
N-methyl-1-(2-methylphenyl)-N-(piperidin-3-ylmethyl)propan-2-amine;hydrochloride
CID 120858044
N-(piperidin-3-ylmethyl)-N-propan-2-yl-2-pyrazol-1-ylacetamide
CID 106629183
benzyl N-[[(3R)-piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 96555678
N-(piperidin-3-ylmethyl)-N-propan-2-yl-2-propan-2-yloxyacetamide
CID 106628870
1,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrrole-2-carboxamide
CID 106628957
N-(piperidin-3-ylmethyl)-N-propan-2-yl-3-pyrazol-1-ylpropanamide
CID 106629180
2-(oxolan-2-yl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylacetamide
CID 106629086
4,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 106628858
N-[1-(2-methylphenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624032
N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclobutanecarboxamide
CID 106629002

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(2-methylphenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylacetamide (CID 106628910) is 2-(2-methylphenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2-methylphenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylacetamide is Cc1ccccc1CC(=O)N(CC1CCCNC1)C(C)C.
What is the InChIKey of 2-(2-methylphenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylacetamide?
The InChIKey is ZYHUZLQRBUXYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(2)20(13-16-8-6-10-19-12-16)18(21)11-17-9-5-4-7-15(17)3/h4-5,7,9,14,16,19H,6,8,10-13H2,1-3H3.
What are the key properties of 2-(2-methylphenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylacetamide?
2-(2-methylphenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylacetamide has a molecular weight of 288.44 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 106628910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).