ethyl 1-octanoylpiperidine-4-carboxylate

C16H29NO3 — CID 43423308

IUPACethyl 1-octanoylpiperidine-4-carboxylate
SMILESCCCCCCCC(=O)N1CCC(C(=O)OCC)CC1
InChIInChI=1S/C16H29NO3/c1-3-5-6-7-8-9-15(18)17-12-10-14(11-13-17)16(19)20-4-2/h14H,3-13H2,1-2H3
InChIKeyRPXDNSYKKZHUPA-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.15
Rot. Bonds8

About ethyl 1-octanoylpiperidine-4-carboxylate

ethyl 1-octanoylpiperidine-4-carboxylate (PubChem CID 43423308) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is ethyl 1-octanoylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-octanoylpiperidine-4-carboxylate
PubChem CID43423308
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Nameethyl 1-octanoylpiperidine-4-carboxylate
SMILESCCCCCCCC(=O)N1CCC(C(=O)OCC)CC1
InChIInChI=1S/C16H29NO3/c1-3-5-6-7-8-9-15(18)17-12-10-14(11-13-17)16(19)20-4-2/h14H,3-13H2,1-2H3
InChIKeyRPXDNSYKKZHUPA-UHFFFAOYSA-N
XLogP3.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.15
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
Ethyl 1-acetylpiperidine-4-carboxylate
CID 690430
Ethyl 1-(3-methylbutanoyl)piperidine-4-carboxylate
CID 670003
4-Ethyl 1-methyl piperidine-1,4-dicarboxylate
CID 16641058
Methyl 1-cyclopentanecarbonylpiperidine-4-carboxylate
CID 25675465
Ethyl 1-(2-fluoroacetyl)piperidine-4-carboxylate
CID 58282570
Ethyl 1-(4,4-difluorocyclohexanecarbonyl)piperidine-4-carboxylate
CID 81929086
Ethyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 1164515
Isonipecotic acid, N-methoxycarbonyl-, propyl ester
CID 91725475

Frequently Asked Questions

What is the IUPAC name of ethyl 1-octanoylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-octanoylpiperidine-4-carboxylate (CID 43423308) is ethyl 1-octanoylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-octanoylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-octanoylpiperidine-4-carboxylate is CCCCCCCC(=O)N1CCC(C(=O)OCC)CC1.
What is the InChIKey of ethyl 1-octanoylpiperidine-4-carboxylate?
The InChIKey is RPXDNSYKKZHUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-3-5-6-7-8-9-15(18)17-12-10-14(11-13-17)16(19)20-4-2/h14H,3-13H2,1-2H3.
What are the key properties of ethyl 1-octanoylpiperidine-4-carboxylate?
ethyl 1-octanoylpiperidine-4-carboxylate has a molecular weight of 283.41 g/mol, XLogP of 3.15, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-octanoylpiperidine-4-carboxylate is sourced from PubChem (CID 43423308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).