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

C24H31N3O4 — CID 126472493

IUPAC2-methoxyethyl 4-[methyl-[(3-methyl-2-pyridinyl)-phenylmethyl]carbamoyl]piperidine-1-carboxylate
SMILESCOCCOC(=O)N1CCC(C(=O)N(C)C(c2ccccc2)c2ncccc2C)CC1
InChIInChI=1S/C24H31N3O4/c1-18-8-7-13-25-21(18)22(19-9-5-4-6-10-19)26(2)23(28)20-11-14-27(15-12-20)24(29)31-17-16-30-3/h4-10,13,20,22H,11-12,14-17H2,1-3H3
InChIKeyGRQSFIPJCKXGEK-UHFFFAOYSA-N
MW425.53 g/mol
LogP3.43
Rot. Bonds7

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

2-methoxyethyl 4-[methyl-[(3-methyl-2-pyridinyl)-phenylmethyl]carbamoyl]piperidine-1-carboxylate (PubChem CID 126472493) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is 2-methoxyethyl 4-[methyl-[(3-methyl-2-pyridinyl)-phenylmethyl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 4-[methyl-[(3-methyl-2-pyridinyl)-phenylmethyl]carbamoyl]piperidine-1-carboxylate
PubChem CID126472493
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Name2-methoxyethyl 4-[methyl-[(3-methyl-2-pyridinyl)-phenylmethyl]carbamoyl]piperidine-1-carboxylate
SMILESCOCCOC(=O)N1CCC(C(=O)N(C)C(c2ccccc2)c2ncccc2C)CC1
InChIInChI=1S/C24H31N3O4/c1-18-8-7-13-25-21(18)22(19-9-5-4-6-10-19)26(2)23(28)20-11-14-27(15-12-20)24(29)31-17-16-30-3/h4-10,13,20,22H,11-12,14-17H2,1-3H3
InChIKeyGRQSFIPJCKXGEK-UHFFFAOYSA-N
XLogP3.43
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.43
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-[(3-methyl-2-pyridinyl)-phenylmethyl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of 2-methoxyethyl 4-[methyl-[(3-methyl-2-pyridinyl)-phenylmethyl]carbamoyl]piperidine-1-carboxylate (CID 126472493) is 2-methoxyethyl 4-[methyl-[(3-methyl-2-pyridinyl)-phenylmethyl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for 2-methoxyethyl 4-[methyl-[(3-methyl-2-pyridinyl)-phenylmethyl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for 2-methoxyethyl 4-[methyl-[(3-methyl-2-pyridinyl)-phenylmethyl]carbamoyl]piperidine-1-carboxylate is COCCOC(=O)N1CCC(C(=O)N(C)C(c2ccccc2)c2ncccc2C)CC1.
What is the InChIKey of 2-methoxyethyl 4-[methyl-[(3-methyl-2-pyridinyl)-phenylmethyl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is GRQSFIPJCKXGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-18-8-7-13-25-21(18)22(19-9-5-4-6-10-19)26(2)23(28)20-11-14-27(15-12-20)24(29)31-17-16-30-3/h4-10,13,20,22H,11-12,14-17H2,1-3H3.
What are the key properties of 2-methoxyethyl 4-[methyl-[(3-methyl-2-pyridinyl)-phenylmethyl]carbamoyl]piperidine-1-carboxylate?
2-methoxyethyl 4-[methyl-[(3-methyl-2-pyridinyl)-phenylmethyl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 425.53 g/mol, XLogP of 3.43, 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-[(3-methyl-2-pyridinyl)-phenylmethyl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 126472493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).