1-[(2-methoxyphenyl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide

C21H25N3O3 — CID 24791049

IUPAC1-[(2-methoxyphenyl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCOc1ccccc1CN1CC(C(=O)NCc2cccc(C)n2)CCC1=O
InChIInChI=1S/C21H25N3O3/c1-15-6-5-8-18(23-15)12-22-21(26)17-10-11-20(25)24(14-17)13-16-7-3-4-9-19(16)27-2/h3-9,17H,10-14H2,1-2H3,(H,22,26)
InChIKeyGAEDTDPHYVHSLX-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.45
Rot. Bonds6

About 1-[(2-methoxyphenyl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide

1-[(2-methoxyphenyl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24791049) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24791049
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name1-[(2-methoxyphenyl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCOc1ccccc1CN1CC(C(=O)NCc2cccc(C)n2)CCC1=O
InChIInChI=1S/C21H25N3O3/c1-15-6-5-8-18(23-15)12-22-21(26)17-10-11-20(25)24(14-17)13-16-7-3-4-9-19(16)27-2/h3-9,17H,10-14H2,1-2H3,(H,22,26)
InChIKeyGAEDTDPHYVHSLX-UHFFFAOYSA-N
XLogP2.45
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide (CID 24791049) is 1-[(2-methoxyphenyl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide is COc1ccccc1CN1CC(C(=O)NCc2cccc(C)n2)CCC1=O.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is GAEDTDPHYVHSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-15-6-5-8-18(23-15)12-22-21(26)17-10-11-20(25)24(14-17)13-16-7-3-4-9-19(16)27-2/h3-9,17H,10-14H2,1-2H3,(H,22,26).
What are the key properties of 1-[(2-methoxyphenyl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide?
1-[(2-methoxyphenyl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24791049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).