ethyl (3S)-1-(3-ethoxycyclobutyl)piperidine-3-carboxylate

C14H25NO3 — CID 100718754

IUPACethyl (3S)-1-(3-ethoxycyclobutyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C2CC(OCC)C2)C1
InChIInChI=1S/C14H25NO3/c1-3-17-13-8-12(9-13)15-7-5-6-11(10-15)14(16)18-4-2/h11-13H,3-10H2,1-2H3/t11-,12?,13?/m0/s1
InChIKeyCEDAXMNRYPNHMG-HIFPTAJRSA-N
MW255.36 g/mol
LogP1.83
Rot. Bonds5

About ethyl (3S)-1-(3-ethoxycyclobutyl)piperidine-3-carboxylate

ethyl (3S)-1-(3-ethoxycyclobutyl)piperidine-3-carboxylate (PubChem CID 100718754) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is ethyl (3S)-1-(3-ethoxycyclobutyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-1-(3-ethoxycyclobutyl)piperidine-3-carboxylate
PubChem CID100718754
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nameethyl (3S)-1-(3-ethoxycyclobutyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C2CC(OCC)C2)C1
InChIInChI=1S/C14H25NO3/c1-3-17-13-8-12(9-13)15-7-5-6-11(10-15)14(16)18-4-2/h11-13H,3-10H2,1-2H3/t11-,12?,13?/m0/s1
InChIKeyCEDAXMNRYPNHMG-HIFPTAJRSA-N
XLogP1.83
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methylnipecotinic acid methyl ester
CID 15535
Ethyl 1-methylpiperidine-3-carboxylate
CID 97981
methyl (3S)-1-methylpiperidine-3-carboxylate
CID 641103
ethyl (3S)-1-methylpiperidine-3-carboxylate
CID 736035
Methyl N-methylnipecotate methobromide
CID 9881457
Piperidinium, 1-ethyl-3-(methoxycarbonyl)-1-methyl-, bromide
CID 3048291
ethyl (3R)-1-methylpiperidine-3-carboxylate
CID 736036
Ethyl 1-cyclopropyl-4-oxopiperidine-3-carboxylate
CID 388490
Methyl 1-methyl-3-piperidinecarboxylate methobromide
CID 126959672
Ethyl 1-ethylpiperidine-3-carboxylate
CID 13905176
3-(Ethoxycarbonyl)-1,1-dimethylpiperidinium iodide
CID 86652334
Ethyl 3-fluoro-1-propan-2-ylpiperidine-3-carboxylate
CID 67986560

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-1-(3-ethoxycyclobutyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-1-(3-ethoxycyclobutyl)piperidine-3-carboxylate (CID 100718754) is ethyl (3S)-1-(3-ethoxycyclobutyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-1-(3-ethoxycyclobutyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-1-(3-ethoxycyclobutyl)piperidine-3-carboxylate is CCOC(=O)[C@H]1CCCN(C2CC(OCC)C2)C1.
What is the InChIKey of ethyl (3S)-1-(3-ethoxycyclobutyl)piperidine-3-carboxylate?
The InChIKey is CEDAXMNRYPNHMG-HIFPTAJRSA-N. The full InChI is InChI=1S/C14H25NO3/c1-3-17-13-8-12(9-13)15-7-5-6-11(10-15)14(16)18-4-2/h11-13H,3-10H2,1-2H3/t11-,12?,13?/m0/s1.
What are the key properties of ethyl (3S)-1-(3-ethoxycyclobutyl)piperidine-3-carboxylate?
ethyl (3S)-1-(3-ethoxycyclobutyl)piperidine-3-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-1-(3-ethoxycyclobutyl)piperidine-3-carboxylate is sourced from PubChem (CID 100718754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).