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

C15H26N2O3 — CID 115536037

IUPACethyl (3S)-1-(3-methylpiperidine-1-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C(=O)N2CCCC(C)C2)C1
InChIInChI=1S/C15H26N2O3/c1-3-20-14(18)13-7-5-9-17(11-13)15(19)16-8-4-6-12(2)10-16/h12-13H,3-11H2,1-2H3/t12?,13-/m0/s1
InChIKeyLYXOIZQHCBTTDK-ABLWVSNPSA-N
MW282.38 g/mol
LogP2.11
Rot. Bonds2

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

ethyl (3S)-1-(3-methylpiperidine-1-carbonyl)piperidine-3-carboxylate (PubChem CID 115536037) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is ethyl (3S)-1-(3-methylpiperidine-1-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-1-(3-methylpiperidine-1-carbonyl)piperidine-3-carboxylate
PubChem CID115536037
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Nameethyl (3S)-1-(3-methylpiperidine-1-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C(=O)N2CCCC(C)C2)C1
InChIInChI=1S/C15H26N2O3/c1-3-20-14(18)13-7-5-9-17(11-13)15(19)16-8-4-6-12(2)10-16/h12-13H,3-11H2,1-2H3/t12?,13-/m0/s1
InChIKeyLYXOIZQHCBTTDK-ABLWVSNPSA-N
XLogP2.11
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-1-(3-methylpiperidine-1-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-1-(3-methylpiperidine-1-carbonyl)piperidine-3-carboxylate (CID 115536037) is ethyl (3S)-1-(3-methylpiperidine-1-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-1-(3-methylpiperidine-1-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-1-(3-methylpiperidine-1-carbonyl)piperidine-3-carboxylate is CCOC(=O)[C@H]1CCCN(C(=O)N2CCCC(C)C2)C1.
What is the InChIKey of ethyl (3S)-1-(3-methylpiperidine-1-carbonyl)piperidine-3-carboxylate?
The InChIKey is LYXOIZQHCBTTDK-ABLWVSNPSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-3-20-14(18)13-7-5-9-17(11-13)15(19)16-8-4-6-12(2)10-16/h12-13H,3-11H2,1-2H3/t12?,13-/m0/s1.
What are the key properties of ethyl (3S)-1-(3-methylpiperidine-1-carbonyl)piperidine-3-carboxylate?
ethyl (3S)-1-(3-methylpiperidine-1-carbonyl)piperidine-3-carboxylate has a molecular weight of 282.38 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-1-(3-methylpiperidine-1-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 115536037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).