2-(4-hydroxy-3-methylpiperidin-1-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide

C17H26N2O2 — CID 114681230

IUPAC2-(4-hydroxy-3-methylpiperidin-1-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)CN2CCC(O)C(C)C2)cc1
InChIInChI=1S/C17H26N2O2/c1-13-4-6-15(7-5-13)11-18(3)17(21)12-19-9-8-16(20)14(2)10-19/h4-7,14,16,20H,8-12H2,1-3H3
InChIKeyNCMSEOPJLNZFIW-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.66
Rot. Bonds4

About 2-(4-hydroxy-3-methylpiperidin-1-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide

2-(4-hydroxy-3-methylpiperidin-1-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 114681230) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(4-hydroxy-3-methylpiperidin-1-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-hydroxy-3-methylpiperidin-1-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
PubChem CID114681230
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(4-hydroxy-3-methylpiperidin-1-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)CN2CCC(O)C(C)C2)cc1
InChIInChI=1S/C17H26N2O2/c1-13-4-6-15(7-5-13)11-18(3)17(21)12-19-9-8-16(20)14(2)10-19/h4-7,14,16,20H,8-12H2,1-3H3
InChIKeyNCMSEOPJLNZFIW-UHFFFAOYSA-N
XLogP1.66
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[3-(methylamino)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 62546349
2-(4-hydroxy-3-methylpiperidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 114681183
2-(4-hydroxy-3-methylpiperidin-1-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 114681156
(3R)-1-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
CID 42538408
N-benzyl-N-methyl-2-(3-methylpiperidin-1-yl)acetamide
CID 108997429
N-[(4-methylphenyl)methyl]-2-(3-methylpyrrolidin-1-yl)-N-propylacetamide
CID 86879333
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]-N-propylacetamide
CID 111123253
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-benzyl-N-methylacetamide;hydrochloride
CID 119917902
2-(2-formylpiperidin-1-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 62655146
N-[(3,4-dichlorophenyl)methyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide
CID 111123262
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 9130486
N-methyl-N-[(4-methylphenyl)methyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 30379432

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3-methylpiperidin-1-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-hydroxy-3-methylpiperidin-1-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide (CID 114681230) is 2-(4-hydroxy-3-methylpiperidin-1-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-hydroxy-3-methylpiperidin-1-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-hydroxy-3-methylpiperidin-1-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CN(C)C(=O)CN2CCC(O)C(C)C2)cc1.
What is the InChIKey of 2-(4-hydroxy-3-methylpiperidin-1-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is NCMSEOPJLNZFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-4-6-15(7-5-13)11-18(3)17(21)12-19-9-8-16(20)14(2)10-19/h4-7,14,16,20H,8-12H2,1-3H3.
What are the key properties of 2-(4-hydroxy-3-methylpiperidin-1-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
2-(4-hydroxy-3-methylpiperidin-1-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 290.41 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-methylpiperidin-1-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 114681230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).