2-methoxyethyl 4-[methyl-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]carbamoyl]piperidine-1-carboxylate

C25H33N3O4 — CID 126472421

IUPAC2-methoxyethyl 4-[methyl-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]carbamoyl]piperidine-1-carboxylate
SMILESCOCCOC(=O)N1CCC(C(=O)N(C)C(c2ccccc2C)c2ncccc2C)CC1
InChIInChI=1S/C25H33N3O4/c1-18-8-5-6-10-21(18)23(22-19(2)9-7-13-26-22)27(3)24(29)20-11-14-28(15-12-20)25(30)32-17-16-31-4/h5-10,13,20,23H,11-12,14-17H2,1-4H3
InChIKeyATLXZBRDNFHJJJ-UHFFFAOYSA-N
MW439.56 g/mol
LogP3.74
Rot. Bonds7

About 2-methoxyethyl 4-[methyl-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]carbamoyl]piperidine-1-carboxylate

2-methoxyethyl 4-[methyl-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]carbamoyl]piperidine-1-carboxylate (PubChem CID 126472421) has the molecular formula C25H33N3O4 and a molecular weight of 439.56 g/mol. Its IUPAC name is 2-methoxyethyl 4-[methyl-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 4-[methyl-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]carbamoyl]piperidine-1-carboxylate
PubChem CID126472421
Molecular FormulaC25H33N3O4
Molecular Weight439.56 g/mol
Exact Mass439.25
IUPAC Name2-methoxyethyl 4-[methyl-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]carbamoyl]piperidine-1-carboxylate
SMILESCOCCOC(=O)N1CCC(C(=O)N(C)C(c2ccccc2C)c2ncccc2C)CC1
InChIInChI=1S/C25H33N3O4/c1-18-8-5-6-10-21(18)23(22-19(2)9-7-13-26-22)27(3)24(29)20-11-14-28(15-12-20)25(30)32-17-16-31-4/h5-10,13,20,23H,11-12,14-17H2,1-4H3
InChIKeyATLXZBRDNFHJJJ-UHFFFAOYSA-N
XLogP3.74
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 4-[methyl-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of 2-methoxyethyl 4-[methyl-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]carbamoyl]piperidine-1-carboxylate (CID 126472421) is 2-methoxyethyl 4-[methyl-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for 2-methoxyethyl 4-[methyl-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for 2-methoxyethyl 4-[methyl-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]carbamoyl]piperidine-1-carboxylate is COCCOC(=O)N1CCC(C(=O)N(C)C(c2ccccc2C)c2ncccc2C)CC1.
What is the InChIKey of 2-methoxyethyl 4-[methyl-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is ATLXZBRDNFHJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4/c1-18-8-5-6-10-21(18)23(22-19(2)9-7-13-26-22)27(3)24(29)20-11-14-28(15-12-20)25(30)32-17-16-31-4/h5-10,13,20,23H,11-12,14-17H2,1-4H3.
What are the key properties of 2-methoxyethyl 4-[methyl-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]carbamoyl]piperidine-1-carboxylate?
2-methoxyethyl 4-[methyl-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 439.56 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 4-[methyl-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 126472421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).