4-(2,5-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide

C18H26N2O2 — CID 120553639

IUPAC4-(2,5-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide
SMILESCc1ccc(C)c(C(=O)CCC(=O)NC2CCNCC2C)c1
InChIInChI=1S/C18H26N2O2/c1-12-4-5-13(2)15(10-12)17(21)6-7-18(22)20-16-8-9-19-11-14(16)3/h4-5,10,14,16,19H,6-9,11H2,1-3H3,(H,20,22)
InChIKeyVHXVXSZJECRMLU-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.38
Rot. Bonds5

About 4-(2,5-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide

4-(2,5-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide (PubChem CID 120553639) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide
PubChem CID120553639
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name4-(2,5-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide
SMILESCc1ccc(C)c(C(=O)CCC(=O)NC2CCNCC2C)c1
InChIInChI=1S/C18H26N2O2/c1-12-4-5-13(2)15(10-12)17(21)6-7-18(22)20-16-8-9-19-11-14(16)3/h4-5,10,14,16,19H,6-9,11H2,1-3H3,(H,20,22)
InChIKeyVHXVXSZJECRMLU-UHFFFAOYSA-N
XLogP2.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-N-(4-methylpiperidin-3-yl)benzamide
CID 63325964
2-(2,4-dimethylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120555880
4-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide;hydrochloride
CID 120555617
3-(3-methylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120557730
3-(2-methylphenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120556745
3-(3,5-dimethylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide
CID 120553278
4-(4-ethoxyphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide
CID 120555349
4-(2-methoxy-5-methylphenyl)-N-(2-methylcyclohexyl)-4-oxobutanamide
CID 108796049
2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(3-methylpiperidin-4-yl)acetamide
CID 120553949
2-(2-methylphenyl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120557156
2-methyl-N-[(3R,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516930
N'-(3-methylpiperidin-4-yl)-N-propylbutanediamide;hydrochloride
CID 120557551

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide?
The IUPAC name of 4-(2,5-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide (CID 120553639) is 4-(2,5-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide.
What is the SMILES notation for 4-(2,5-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide?
The canonical SMILES for 4-(2,5-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide is Cc1ccc(C)c(C(=O)CCC(=O)NC2CCNCC2C)c1.
What is the InChIKey of 4-(2,5-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide?
The InChIKey is VHXVXSZJECRMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-12-4-5-13(2)15(10-12)17(21)6-7-18(22)20-16-8-9-19-11-14(16)3/h4-5,10,14,16,19H,6-9,11H2,1-3H3,(H,20,22).
What are the key properties of 4-(2,5-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide?
4-(2,5-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide has a molecular weight of 302.42 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide is sourced from PubChem (CID 120553639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).