2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]acetamide

C17H25N3O2 — CID 124755207

IUPAC2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]acetamide
SMILESCc1ccc(CN(C)CC(=O)N[C@@H]2CCC(=O)N(C)C2)cc1
InChIInChI=1S/C17H25N3O2/c1-13-4-6-14(7-5-13)10-19(2)12-16(21)18-15-8-9-17(22)20(3)11-15/h4-7,15H,8-12H2,1-3H3,(H,18,21)/t15-/m1/s1
InChIKeyPVMVBMBXYUXGPY-OAHLLOKOSA-N
MW303.41 g/mol
LogP1.16
Rot. Bonds5

About 2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]acetamide

2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]acetamide (PubChem CID 124755207) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]acetamide
PubChem CID124755207
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]acetamide
SMILESCc1ccc(CN(C)CC(=O)N[C@@H]2CCC(=O)N(C)C2)cc1
InChIInChI=1S/C17H25N3O2/c1-13-4-6-14(7-5-13)10-19(2)12-16(21)18-15-8-9-17(22)20(3)11-15/h4-7,15H,8-12H2,1-3H3,(H,18,21)/t15-/m1/s1
InChIKeyPVMVBMBXYUXGPY-OAHLLOKOSA-N
XLogP1.16
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]acetamide?
The IUPAC name of 2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]acetamide (CID 124755207) is 2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]acetamide.
What is the SMILES notation for 2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]acetamide?
The canonical SMILES for 2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]acetamide is Cc1ccc(CN(C)CC(=O)N[C@@H]2CCC(=O)N(C)C2)cc1.
What is the InChIKey of 2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]acetamide?
The InChIKey is PVMVBMBXYUXGPY-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13-4-6-14(7-5-13)10-19(2)12-16(21)18-15-8-9-17(22)20(3)11-15/h4-7,15H,8-12H2,1-3H3,(H,18,21)/t15-/m1/s1.
What are the key properties of 2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]acetamide?
2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]acetamide has a molecular weight of 303.41 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]acetamide is sourced from PubChem (CID 124755207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).