1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carbaldehyde;ethane;5-pyridin-3-ylpentyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate;3-pyridin-3-ylpropyl 1-(2-methylhexanoyl)piperidine-2-carboxylate

C61H93N5O10 — CID 144759630

About 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carbaldehyde;ethane;5-pyridin-3-ylpentyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate;3-pyridin-3-ylpropyl 1-(2-methylhexanoyl)piperidine-2-carboxylate

1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carbaldehyde;ethane;5-pyridin-3-ylpentyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate;3-pyridin-3-ylpropyl 1-(2-methylhexanoyl)piperidine-2-carboxylate (PubChem CID 144759630) has the molecular formula C61H93N5O10 and a molecular weight of 1056.44 g/mol. Its IUPAC name is 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carbaldehyde;ethane;5-pyridin-3-ylpentyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate;3-pyridin-3-ylpropyl 1-(2-methylhexanoyl)piperidine-2-carboxylate.

Molecular Properties

• Compound Name: 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carbaldehyde;ethane;5-pyridin-3-ylpentyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate;3-pyridin-3-ylpropyl 1-(2-methylhexanoyl)piperidine-2-carboxylate
• PubChem CID: 144759630
• Molecular Formula: C61H93N5O10
• Molecular Weight: 1056.44 g/mol
• Exact Mass: 1055.69
• IUPAC Name: 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carbaldehyde;ethane;5-pyridin-3-ylpentyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate;3-pyridin-3-ylpropyl 1-(2-methylhexanoyl)piperidine-2-carboxylate
• SMILES: CC.CCCCC(C)C(=O)N1CCCCC1C(=O)OCCCc1cccnc1.O=C(C(=O)N1CCCCC1C(=O)OCCCCCc1cccnc1)C1CCCCC1.O=CC1CCCCN1C(=O)C(=O)C1CCCCC1
• InChI: InChI=1S/C24H34N2O4.C21H32N2O3.C14H21NO3.C2H6/c27-22(20-12-4-1-5-13-20)23(28)26-16-7-6-14-21(26)24(29)30-17-8-2-3-10-19-11-9-15-25-18-19;1-3-4-9-17(2)20(24)23-14-6-5-12-19(23)21(25)26-15-8-11-18-10-7-13-22-16-18;16-10-12-8-4-5-9-15(12)14(18)13(17)11-6-2-1-3-7-11;1-2/h9,11,15,18,20-21H,1-8,10,12-14,16-17H2;7,10,13,16-17,19H,3-6,8-9,11-12,14-15H2,1-2H3;10-12H,1-9H2;1-2H3
• InChIKey: VWCKCWLOTQKDHP-UHFFFAOYSA-N
• XLogP: 10.37
• TPSA: 190.52 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 21
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1056.44
LogP ≤ 5	10.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carbaldehyde;ethane;5-pyridin-3-ylpentyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate;3-pyridin-3-ylpropyl 1-(2-methylhexanoyl)piperidine-2-carboxylate?

The IUPAC name of 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carbaldehyde;ethane;5-pyridin-3-ylpentyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate;3-pyridin-3-ylpropyl 1-(2-methylhexanoyl)piperidine-2-carboxylate (CID 144759630) is 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carbaldehyde;ethane;5-pyridin-3-ylpentyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate;3-pyridin-3-ylpropyl 1-(2-methylhexanoyl)piperidine-2-carboxylate.

What is the SMILES notation for 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carbaldehyde;ethane;5-pyridin-3-ylpentyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate;3-pyridin-3-ylpropyl 1-(2-methylhexanoyl)piperidine-2-carboxylate?

The canonical SMILES for 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carbaldehyde;ethane;5-pyridin-3-ylpentyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate;3-pyridin-3-ylpropyl 1-(2-methylhexanoyl)piperidine-2-carboxylate is CC.CCCCC(C)C(=O)N1CCCCC1C(=O)OCCCc1cccnc1.O=C(C(=O)N1CCCCC1C(=O)OCCCCCc1cccnc1)C1CCCCC1.O=CC1CCCCN1C(=O)C(=O)C1CCCCC1.

What is the InChIKey of 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carbaldehyde;ethane;5-pyridin-3-ylpentyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate;3-pyridin-3-ylpropyl 1-(2-methylhexanoyl)piperidine-2-carboxylate?

The InChIKey is VWCKCWLOTQKDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O4.C21H32N2O3.C14H21NO3.C2H6/c27-22(20-12-4-1-5-13-20)23(28)26-16-7-6-14-21(26)24(29)30-17-8-2-3-10-19-11-9-15-25-18-19;1-3-4-9-17(2)20(24)23-14-6-5-12-19(23)21(25)26-15-8-11-18-10-7-13-22-16-18;16-10-12-8-4-5-9-15(12)14(18)13(17)11-6-2-1-3-7-11;1-2/h9,11,15,18,20-21H,1-8,10,12-14,16-17H2;7,10,13,16-17,19H,3-6,8-9,11-12,14-15H2,1-2H3;10-12H,1-9H2;1-2H3.

What are the key properties of 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carbaldehyde;ethane;5-pyridin-3-ylpentyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate;3-pyridin-3-ylpropyl 1-(2-methylhexanoyl)piperidine-2-carboxylate?

1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carbaldehyde;ethane;5-pyridin-3-ylpentyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate;3-pyridin-3-ylpropyl 1-(2-methylhexanoyl)piperidine-2-carboxylate has a molecular weight of 1056.44 g/mol, XLogP of 10.37, 21 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carbaldehyde;ethane;5-pyridin-3-ylpentyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate;3-pyridin-3-ylpropyl 1-(2-methylhexanoyl)piperidine-2-carboxylate is sourced from PubChem (CID 144759630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).