ethyl (3S)-1-[(3R)-1-methylpiperidine-3-carbonyl]piperidine-3-carboxylate

C15H26N2O3 — CID 59091299

IUPACethyl (3S)-1-[(3R)-1-methylpiperidine-3-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCN(C)C2)C1
InChIInChI=1S/C15H26N2O3/c1-3-20-15(19)13-7-5-9-17(11-13)14(18)12-6-4-8-16(2)10-12/h12-13H,3-11H2,1-2H3/t12-,13+/m1/s1
InChIKeyBNZCVFQSCNXQHP-OLZOCXBDSA-N
MW282.38 g/mol
LogP1.13
Rot. Bonds3

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

ethyl (3S)-1-[(3R)-1-methylpiperidine-3-carbonyl]piperidine-3-carboxylate (PubChem CID 59091299) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is ethyl (3S)-1-[(3R)-1-methylpiperidine-3-carbonyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-1-[(3R)-1-methylpiperidine-3-carbonyl]piperidine-3-carboxylate
PubChem CID59091299
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Nameethyl (3S)-1-[(3R)-1-methylpiperidine-3-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCN(C)C2)C1
InChIInChI=1S/C15H26N2O3/c1-3-20-15(19)13-7-5-9-17(11-13)14(18)12-6-4-8-16(2)10-12/h12-13H,3-11H2,1-2H3/t12-,13+/m1/s1
InChIKeyBNZCVFQSCNXQHP-OLZOCXBDSA-N
XLogP1.13
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-1-[(3R)-1-methylpiperidine-3-carbonyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-1-[(3R)-1-methylpiperidine-3-carbonyl]piperidine-3-carboxylate (CID 59091299) is ethyl (3S)-1-[(3R)-1-methylpiperidine-3-carbonyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-1-[(3R)-1-methylpiperidine-3-carbonyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-1-[(3R)-1-methylpiperidine-3-carbonyl]piperidine-3-carboxylate is CCOC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCN(C)C2)C1.
What is the InChIKey of ethyl (3S)-1-[(3R)-1-methylpiperidine-3-carbonyl]piperidine-3-carboxylate?
The InChIKey is BNZCVFQSCNXQHP-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-3-20-15(19)13-7-5-9-17(11-13)14(18)12-6-4-8-16(2)10-12/h12-13H,3-11H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of ethyl (3S)-1-[(3R)-1-methylpiperidine-3-carbonyl]piperidine-3-carboxylate?
ethyl (3S)-1-[(3R)-1-methylpiperidine-3-carbonyl]piperidine-3-carboxylate has a molecular weight of 282.38 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-1-[(3R)-1-methylpiperidine-3-carbonyl]piperidine-3-carboxylate is sourced from PubChem (CID 59091299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).