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

C16H24N2O — CID 95969501

IUPACN-[(2-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)acetamide
SMILESCc1ccccc1CNC(=O)CC1CCN(C)CC1
InChIInChI=1S/C16H24N2O/c1-13-5-3-4-6-15(13)12-17-16(19)11-14-7-9-18(2)10-8-14/h3-6,14H,7-12H2,1-2H3,(H,17,19)
InChIKeyFVQJQULGUAUKKF-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.34
Rot. Bonds4

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

N-[(2-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)acetamide (PubChem CID 95969501) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)acetamide
PubChem CID95969501
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[(2-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)acetamide
SMILESCc1ccccc1CNC(=O)CC1CCN(C)CC1
InChIInChI=1S/C16H24N2O/c1-13-5-3-4-6-15(13)12-17-16(19)11-14-7-9-18(2)10-8-14/h3-6,14H,7-12H2,1-2H3,(H,17,19)
InChIKeyFVQJQULGUAUKKF-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-cyclohexyl-4-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 53057722
2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 9184586
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 9184590
1-[(2-methylphenyl)methyl]-3-[[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methyl]urea
CID 95222597
N-[(2-methylphenyl)methyl]-2-[(2-methylphenyl)methylamino]acetamide
CID 108996489
methyl 2,4-dimethyl-5-[4-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate
CID 50787554
2-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)acetamide
CID 50875448
N-(2-ethylphenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 95969544
N-[(2-methylphenyl)methyl]-2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]acetamide
CID 20971770
N-(4-chlorophenyl)-5-[4-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 46331057
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(1-methylpiperidin-4-yl)acetamide
CID 99969880
N-[[2-(aminomethyl)phenyl]methyl]-2-cyclopropylacetamide
CID 62952151

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)acetamide (CID 95969501) is N-[(2-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)acetamide is Cc1ccccc1CNC(=O)CC1CCN(C)CC1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is FVQJQULGUAUKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-5-3-4-6-15(13)12-17-16(19)11-14-7-9-18(2)10-8-14/h3-6,14H,7-12H2,1-2H3,(H,17,19).
What are the key properties of N-[(2-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)acetamide?
N-[(2-methylphenyl)methyl]-2-(1-methylpiperidin-4-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-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 95969501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).