1-[(3-methoxyphenyl)methyl]-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide

C19H24N4O3 — CID 24791448

IUPAC1-[(3-methoxyphenyl)methyl]-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCOc1cccc(CN2CC(C(=O)NCc3ncc(C)[nH]3)CCC2=O)c1
InChIInChI=1S/C19H24N4O3/c1-13-9-20-17(22-13)10-21-19(25)15-6-7-18(24)23(12-15)11-14-4-3-5-16(8-14)26-2/h3-5,8-9,15H,6-7,10-12H2,1-2H3,(H,20,22)(H,21,25)
InChIKeyIULRAJCHTJQSQW-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.78
Rot. Bonds6

About 1-[(3-methoxyphenyl)methyl]-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide

1-[(3-methoxyphenyl)methyl]-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24791448) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24791448
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name1-[(3-methoxyphenyl)methyl]-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCOc1cccc(CN2CC(C(=O)NCc3ncc(C)[nH]3)CCC2=O)c1
InChIInChI=1S/C19H24N4O3/c1-13-9-20-17(22-13)10-21-19(25)15-6-7-18(24)23(12-15)11-14-4-3-5-16(8-14)26-2/h3-5,8-9,15H,6-7,10-12H2,1-2H3,(H,20,22)(H,21,25)
InChIKeyIULRAJCHTJQSQW-UHFFFAOYSA-N
XLogP1.78
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide (CID 24791448) is 1-[(3-methoxyphenyl)methyl]-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide is COc1cccc(CN2CC(C(=O)NCc3ncc(C)[nH]3)CCC2=O)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is IULRAJCHTJQSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-13-9-20-17(22-13)10-21-19(25)15-6-7-18(24)23(12-15)11-14-4-3-5-16(8-14)26-2/h3-5,8-9,15H,6-7,10-12H2,1-2H3,(H,20,22)(H,21,25).
What are the key properties of 1-[(3-methoxyphenyl)methyl]-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
1-[(3-methoxyphenyl)methyl]-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24791448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).