ethane;ethyl N-[6-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-4-methyl-3-pyridinyl]carbamate

C25H42N4O3 — CID 143229820

About ethane;ethyl N-[6-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-4-methyl-3-pyridinyl]carbamate

ethane;ethyl N-[6-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-4-methyl-3-pyridinyl]carbamate (PubChem CID 143229820) has the molecular formula C25H42N4O3 and a molecular weight of 446.64 g/mol. Its IUPAC name is ethane;ethyl N-[6-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-4-methyl-3-pyridinyl]carbamate.

Molecular Properties

• Compound Name: ethane;ethyl N-[6-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-4-methyl-3-pyridinyl]carbamate
• PubChem CID: 143229820
• Molecular Formula: C25H42N4O3
• Molecular Weight: 446.64 g/mol
• Exact Mass: 446.33
• IUPAC Name: ethane;ethyl N-[6-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-4-methyl-3-pyridinyl]carbamate
• SMILES: CC.CCOC(=O)Nc1cnc(N2CCCC(CCN(C=O)C3CCCCC3)C2)cc1C
• InChI: InChI=1S/C23H36N4O3.C2H6/c1-3-30-23(29)25-21-15-24-22(14-18(21)2)26-12-7-8-19(16-26)11-13-27(17-28)20-9-5-4-6-10-20;1-2/h14-15,17,19-20H,3-13,16H2,1-2H3,(H,25,29);1-2H3
• InChIKey: ZNKIVIKOSUWMTC-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 74.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.64
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl N-[6-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-4-methyl-3-pyridinyl]carbamate?

The IUPAC name of ethane;ethyl N-[6-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-4-methyl-3-pyridinyl]carbamate (CID 143229820) is ethane;ethyl N-[6-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-4-methyl-3-pyridinyl]carbamate.

What is the SMILES notation for ethane;ethyl N-[6-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-4-methyl-3-pyridinyl]carbamate?

The canonical SMILES for ethane;ethyl N-[6-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-4-methyl-3-pyridinyl]carbamate is CC.CCOC(=O)Nc1cnc(N2CCCC(CCN(C=O)C3CCCCC3)C2)cc1C.

What is the InChIKey of ethane;ethyl N-[6-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-4-methyl-3-pyridinyl]carbamate?

The InChIKey is ZNKIVIKOSUWMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O3.C2H6/c1-3-30-23(29)25-21-15-24-22(14-18(21)2)26-12-7-8-19(16-26)11-13-27(17-28)20-9-5-4-6-10-20;1-2/h14-15,17,19-20H,3-13,16H2,1-2H3,(H,25,29);1-2H3.

What are the key properties of ethane;ethyl N-[6-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-4-methyl-3-pyridinyl]carbamate?

ethane;ethyl N-[6-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-4-methyl-3-pyridinyl]carbamate has a molecular weight of 446.64 g/mol, XLogP of 5.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;ethyl N-[6-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-4-methyl-3-pyridinyl]carbamate is sourced from PubChem (CID 143229820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).