1-(1-decanoylpiperidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide

C24H45N3O3 — CID 42881445

IUPAC1-(1-decanoylpiperidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCCCCCCCCCC(=O)N1CCC(N2CCC(C(=O)NCCOC)CC2)CC1
InChIInChI=1S/C24H45N3O3/c1-3-4-5-6-7-8-9-10-23(28)27-18-13-22(14-19-27)26-16-11-21(12-17-26)24(29)25-15-20-30-2/h21-22H,3-20H2,1-2H3,(H,25,29)
InChIKeyBCIICUWITWGIFN-UHFFFAOYSA-N
MW423.64 g/mol
LogP3.59
Rot. Bonds13

About 1-(1-decanoylpiperidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide

1-(1-decanoylpiperidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide (PubChem CID 42881445) has the molecular formula C24H45N3O3 and a molecular weight of 423.64 g/mol. Its IUPAC name is 1-(1-decanoylpiperidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-decanoylpiperidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide
PubChem CID42881445
Molecular FormulaC24H45N3O3
Molecular Weight423.64 g/mol
Exact Mass423.35
IUPAC Name1-(1-decanoylpiperidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCCCCCCCCCC(=O)N1CCC(N2CCC(C(=O)NCCOC)CC2)CC1
InChIInChI=1S/C24H45N3O3/c1-3-4-5-6-7-8-9-10-23(28)27-18-13-22(14-19-27)26-16-11-21(12-17-26)24(29)25-15-20-30-2/h21-22H,3-20H2,1-2H3,(H,25,29)
InChIKeyBCIICUWITWGIFN-UHFFFAOYSA-N
XLogP3.59
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.64
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-(1-decanoylpiperidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1-decanoylpiperidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide (CID 42881445) is 1-(1-decanoylpiperidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-decanoylpiperidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1-decanoylpiperidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide is CCCCCCCCCC(=O)N1CCC(N2CCC(C(=O)NCCOC)CC2)CC1.
What is the InChIKey of 1-(1-decanoylpiperidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide?
The InChIKey is BCIICUWITWGIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45N3O3/c1-3-4-5-6-7-8-9-10-23(28)27-18-13-22(14-19-27)26-16-11-21(12-17-26)24(29)25-15-20-30-2/h21-22H,3-20H2,1-2H3,(H,25,29).
What are the key properties of 1-(1-decanoylpiperidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide?
1-(1-decanoylpiperidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide has a molecular weight of 423.64 g/mol, XLogP of 3.59, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-decanoylpiperidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 42881445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).