ethyl 1-(cyclopentene-1-carbonyl)piperidine-3-carboxylate

C14H21NO3 — CID 46113474

IUPACethyl 1-(cyclopentene-1-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C2=CCCC2)C1
InChIInChI=1S/C14H21NO3/c1-2-18-14(17)12-8-5-9-15(10-12)13(16)11-6-3-4-7-11/h6,12H,2-5,7-10H2,1H3
InChIKeySQCYYMSMXBWHEA-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.90
Rot. Bonds3

About ethyl 1-(cyclopentene-1-carbonyl)piperidine-3-carboxylate

ethyl 1-(cyclopentene-1-carbonyl)piperidine-3-carboxylate (PubChem CID 46113474) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethyl 1-(cyclopentene-1-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(cyclopentene-1-carbonyl)piperidine-3-carboxylate
PubChem CID46113474
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nameethyl 1-(cyclopentene-1-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C2=CCCC2)C1
InChIInChI=1S/C14H21NO3/c1-2-18-14(17)12-8-5-9-15(10-12)13(16)11-6-3-4-7-11/h6,12H,2-5,7-10H2,1H3
InChIKeySQCYYMSMXBWHEA-UHFFFAOYSA-N
XLogP1.90
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 81344217
ethyl (3S)-1-(2,6-dimethylbenzoyl)piperidine-3-carboxylate
CID 103783546
ethyl 1-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxylate
CID 61340323
ethyl (3R)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxylate
CID 81338523
ethyl 1-(3,5-dichlorobenzoyl)piperidine-3-carboxylate
CID 43404461
ethyl (3S)-1-(2-methylbenzoyl)piperidine-3-carboxylate
CID 81345354
ethyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate
CID 81345143
ethyl (3R)-1-[4-(hydroxymethyl)benzoyl]piperidine-3-carboxylate
CID 115538788
ethyl 1-(4-tert-butylbenzoyl)piperidine-3-carboxylate
CID 3436669
ethyl 1-(3-chlorothiophene-2-carbonyl)piperidine-3-carboxylate
CID 80642246
ethyl 1-(2-fluoro-4-methylbenzoyl)piperidine-3-carboxylate
CID 79765192
ethyl (3R)-1-(4-benzoylbenzoyl)piperidine-3-carboxylate
CID 30283825

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(cyclopentene-1-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(cyclopentene-1-carbonyl)piperidine-3-carboxylate (CID 46113474) is ethyl 1-(cyclopentene-1-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(cyclopentene-1-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(cyclopentene-1-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)C2=CCCC2)C1.
What is the InChIKey of ethyl 1-(cyclopentene-1-carbonyl)piperidine-3-carboxylate?
The InChIKey is SQCYYMSMXBWHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-2-18-14(17)12-8-5-9-15(10-12)13(16)11-6-3-4-7-11/h6,12H,2-5,7-10H2,1H3.
What are the key properties of ethyl 1-(cyclopentene-1-carbonyl)piperidine-3-carboxylate?
ethyl 1-(cyclopentene-1-carbonyl)piperidine-3-carboxylate has a molecular weight of 251.33 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(cyclopentene-1-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 46113474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).