ethyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate

C16H27NO3 — CID 976292

IUPACethyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCC2CCCC2)CC1
InChIInChI=1S/C16H27NO3/c1-2-20-16(19)14-9-11-17(12-10-14)15(18)8-7-13-5-3-4-6-13/h13-14H,2-12H2,1H3
InChIKeyLHCQECNXCNROTF-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.76
Rot. Bonds5

About ethyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate

ethyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate (PubChem CID 976292) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is ethyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate
PubChem CID976292
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Nameethyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCC2CCCC2)CC1
InChIInChI=1S/C16H27NO3/c1-2-20-16(19)14-9-11-17(12-10-14)15(18)8-7-13-5-3-4-6-13/h13-14H,2-12H2,1H3
InChIKeyLHCQECNXCNROTF-UHFFFAOYSA-N
XLogP2.76
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 1-(cyclohexylcarbonyl)piperidine-4-carboxylate
CID 808378
Methyl 1-(cyclohexylcarbonyl)-4-piperidinecarboxylate
CID 798678
Methyl 1-(3-cyclohexylpropanoyl)-4-piperidinecarboxylate
CID 756673
Ethyl 4-(3-cyclopentylpropanoyl)-1-piperazinecarboxylate
CID 976235
Methyl 1-cyclopentanecarbonylpiperidine-4-carboxylate
CID 25675465
3-cyclopentyl-N-methyl-N-[(4-methyltetrahydro-2H-pyran-4-yl)methyl]propanamide
CID 91914855
Ethyl 1-(4,4-difluorocyclohexanecarbonyl)piperidine-4-carboxylate
CID 81929086
Ethyl 1-(1-(trifluoromethyl)cyclopentanecarbonyl)piperidin-4-carboxylate
CID 90018459
Isonipecotic acid, N-(octanoyl)-, ethyl ester
CID 43423308
Isonipecotic acid, N-(octanoyl)-, propyl ester
CID 91725727
Isonipecotic acid, N-(cyclohexylcarbonyl)-, propyl ester
CID 91725731
Isonipecotic acid, N-(octanoyl)-, butyl ester
CID 91728400

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate (CID 976292) is ethyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CCC2CCCC2)CC1.
What is the InChIKey of ethyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate?
The InChIKey is LHCQECNXCNROTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-2-20-16(19)14-9-11-17(12-10-14)15(18)8-7-13-5-3-4-6-13/h13-14H,2-12H2,1H3.
What are the key properties of ethyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate?
ethyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate has a molecular weight of 281.40 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate is sourced from PubChem (CID 976292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).