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

C14H24N2O3 — CID 81329179

IUPACethyl (3S)-1-(piperidine-1-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C(=O)N2CCCCC2)C1
InChIInChI=1S/C14H24N2O3/c1-2-19-13(17)12-7-6-10-16(11-12)14(18)15-8-4-3-5-9-15/h12H,2-11H2,1H3/t12-/m0/s1
InChIKeyWYLACTSIFLQEEG-LBPRGKRZSA-N
MW268.36 g/mol
LogP1.87
Rot. Bonds2

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

ethyl (3S)-1-(piperidine-1-carbonyl)piperidine-3-carboxylate (PubChem CID 81329179) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is ethyl (3S)-1-(piperidine-1-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-1-(piperidine-1-carbonyl)piperidine-3-carboxylate
PubChem CID81329179
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Nameethyl (3S)-1-(piperidine-1-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C(=O)N2CCCCC2)C1
InChIInChI=1S/C14H24N2O3/c1-2-19-13(17)12-7-6-10-16(11-12)14(18)15-8-4-3-5-9-15/h12H,2-11H2,1H3/t12-/m0/s1
InChIKeyWYLACTSIFLQEEG-LBPRGKRZSA-N
XLogP1.87
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-1-(piperidine-1-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-1-(piperidine-1-carbonyl)piperidine-3-carboxylate (CID 81329179) is ethyl (3S)-1-(piperidine-1-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-1-(piperidine-1-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-1-(piperidine-1-carbonyl)piperidine-3-carboxylate is CCOC(=O)[C@H]1CCCN(C(=O)N2CCCCC2)C1.
What is the InChIKey of ethyl (3S)-1-(piperidine-1-carbonyl)piperidine-3-carboxylate?
The InChIKey is WYLACTSIFLQEEG-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-2-19-13(17)12-7-6-10-16(11-12)14(18)15-8-4-3-5-9-15/h12H,2-11H2,1H3/t12-/m0/s1.
What are the key properties of ethyl (3S)-1-(piperidine-1-carbonyl)piperidine-3-carboxylate?
ethyl (3S)-1-(piperidine-1-carbonyl)piperidine-3-carboxylate has a molecular weight of 268.36 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-1-(piperidine-1-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 81329179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).