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

C16H24N2O — CID 108996675

IUPACN-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide
SMILESCc1ccccc1CNC(=O)CN1CCCC(C)C1
InChIInChI=1S/C16H24N2O/c1-13-6-5-9-18(11-13)12-16(19)17-10-15-8-4-3-7-14(15)2/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,17,19)
InChIKeyAAVSLJYWROWHIT-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.34
Rot. Bonds4

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

N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide (PubChem CID 108996675) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide
PubChem CID108996675
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide
SMILESCc1ccccc1CNC(=O)CN1CCCC(C)C1
InChIInChI=1S/C16H24N2O/c1-13-6-5-9-18(11-13)12-16(19)17-10-15-8-4-3-7-14(15)2/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,17,19)
InChIKeyAAVSLJYWROWHIT-UHFFFAOYSA-N
XLogP2.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 8903458
1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904532
2-(3-methylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 108999232
2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 8679950
2-[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 97072837
N-(2-methylnaphthalen-1-yl)-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 856171
N-[(2-methylphenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109046805
N-(2,6-diethylphenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 22197765
N-[(4-methoxyphenyl)methyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 8903596
4-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide
CID 120564544
N-(1,3-benzoxazol-2-ylmethyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 91792073
2,4-dimethyl-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 55714039

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide (CID 108996675) is N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide is Cc1ccccc1CNC(=O)CN1CCCC(C)C1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide?
The InChIKey is AAVSLJYWROWHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-6-5-9-18(11-13)12-16(19)17-10-15-8-4-3-7-14(15)2/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,17,19).
What are the key properties of N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide?
N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide has a molecular weight of 260.38 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 108996675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).