pentyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate

C18H31NO3 — CID 91732560

IUPACpentyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate
SMILESCCCCCOC(=O)C1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C18H31NO3/c1-2-3-7-14-22-18(21)16-10-12-19(13-11-16)17(20)15-8-5-4-6-9-15/h15-16H,2-14H2,1H3
InChIKeyHBZNBAXRUQATBW-UHFFFAOYSA-N
MW309.45 g/mol
LogP3.54
Rot. Bonds6

About pentyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate

pentyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate (PubChem CID 91732560) has the molecular formula C18H31NO3 and a molecular weight of 309.45 g/mol. Its IUPAC name is pentyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namepentyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate
PubChem CID91732560
Molecular FormulaC18H31NO3
Molecular Weight309.45 g/mol
Exact Mass309.23
IUPAC Namepentyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate
SMILESCCCCCOC(=O)C1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C18H31NO3/c1-2-3-7-14-22-18(21)16-10-12-19(13-11-16)17(20)15-8-5-4-6-9-15/h15-16H,2-14H2,1H3
InChIKeyHBZNBAXRUQATBW-UHFFFAOYSA-N
XLogP3.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 1-(3-cyclopentylpropanoyl)-4-piperidinecarboxylate
CID 976292
Ethyl 1-(cyclohexylcarbonyl)piperidine-4-carboxylate
CID 808378
Methyl 1-(cyclohexylcarbonyl)-4-piperidinecarboxylate
CID 798678
Methyl 1-(3-cyclohexylpropanoyl)-4-piperidinecarboxylate
CID 756673
2-cyclohexyl-N-methyl-N-(tetrahydro-2H-pyran-4-ylmethyl)acetamide
CID 91915001
Ethyl 4-cyclohexyl-1-(2-cyclohexylacetyl)piperidine-4-carboxylate
CID 172433353
Ethyl 1-(cyclohexanecarbonyl)piperidine-3-carboxylate
CID 2914232
2-Cyclohexyl-1-[4-(prop-2-ynoxymethyl)piperidin-1-yl]ethanone
CID 49670836
3-Cyclohexyl-1-(3-(methoxymethyl)piperidin-1-yl)propan-1-one
CID 52992865
Cyclohexyl-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 53150806
3-Cyclohexyl-1-[4-(2-methoxyethyl)piperidin-1-yl]propan-1-one
CID 53150835
2-Cyclohexyl-1-[4-(2-methoxyethyl)piperidin-1-yl]ethanone
CID 53150837

Frequently Asked Questions

What is the IUPAC name of pentyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate?
The IUPAC name of pentyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate (CID 91732560) is pentyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate.
What is the SMILES notation for pentyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate?
The canonical SMILES for pentyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate is CCCCCOC(=O)C1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of pentyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate?
The InChIKey is HBZNBAXRUQATBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO3/c1-2-3-7-14-22-18(21)16-10-12-19(13-11-16)17(20)15-8-5-4-6-9-15/h15-16H,2-14H2,1H3.
What are the key properties of pentyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate?
pentyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate has a molecular weight of 309.45 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 91732560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).