ethyl (3S)-1-furo[3,2-c]pyridin-4-ylpiperidine-3-carboxylate

C15H18N2O3 — CID 99636617

IUPACethyl (3S)-1-furo[3,2-c]pyridin-4-ylpiperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(c2nccc3occc23)C1
InChIInChI=1S/C15H18N2O3/c1-2-19-15(18)11-4-3-8-17(10-11)14-12-6-9-20-13(12)5-7-16-14/h5-7,9,11H,2-4,8,10H2,1H3/t11-/m0/s1
InChIKeyQAOXBZJHIYVELW-NSHDSACASA-N
MW274.32 g/mol
LogP2.61
Rot. Bonds3

About ethyl (3S)-1-furo[3,2-c]pyridin-4-ylpiperidine-3-carboxylate

ethyl (3S)-1-furo[3,2-c]pyridin-4-ylpiperidine-3-carboxylate (PubChem CID 99636617) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is ethyl (3S)-1-furo[3,2-c]pyridin-4-ylpiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-1-furo[3,2-c]pyridin-4-ylpiperidine-3-carboxylate
PubChem CID99636617
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Nameethyl (3S)-1-furo[3,2-c]pyridin-4-ylpiperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(c2nccc3occc23)C1
InChIInChI=1S/C15H18N2O3/c1-2-19-15(18)11-4-3-8-17(10-11)14-12-6-9-20-13(12)5-7-16-14/h5-7,9,11H,2-4,8,10H2,1H3/t11-/m0/s1
InChIKeyQAOXBZJHIYVELW-NSHDSACASA-N
XLogP2.61
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-furo[3,2-c]pyridin-4-ylpyrrolidine-3-carboxylate
CID 103702822
ethyl 1-(3-methoxy-2-pyridinyl)piperidine-3-carboxylate
CID 113371227
N-(1-furo[3,2-c]pyridin-4-ylpiperidin-3-yl)acetamide
CID 171328135
ethyl 1-(2-methyl-4-pyridinyl)piperidine-3-carboxylate
CID 113482815
ethyl 1-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-3-carboxylate
CID 19137273
ethyl (3S)-1-(6-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)piperidine-3-carboxylate
CID 51904879
tert-butyl N-[(1-furo[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]carbamate
CID 84595915
(3R)-1-furo[3,2-c]pyridin-4-ylpyrrolidin-3-amine
CID 129414537
ethyl 1-phthalazin-1-ylpiperidine-3-carboxylate
CID 60631772
ethyl (3R)-1-(6-formylquinazolin-4-yl)piperidine-3-carboxylate
CID 124514606
ethyl 1-[5-amino-6-(ethylamino)pyrimidin-4-yl]piperidine-3-carboxylate
CID 19135200
ethyl 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylate
CID 60725743

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-1-furo[3,2-c]pyridin-4-ylpiperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-1-furo[3,2-c]pyridin-4-ylpiperidine-3-carboxylate (CID 99636617) is ethyl (3S)-1-furo[3,2-c]pyridin-4-ylpiperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-1-furo[3,2-c]pyridin-4-ylpiperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-1-furo[3,2-c]pyridin-4-ylpiperidine-3-carboxylate is CCOC(=O)[C@H]1CCCN(c2nccc3occc23)C1.
What is the InChIKey of ethyl (3S)-1-furo[3,2-c]pyridin-4-ylpiperidine-3-carboxylate?
The InChIKey is QAOXBZJHIYVELW-NSHDSACASA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-19-15(18)11-4-3-8-17(10-11)14-12-6-9-20-13(12)5-7-16-14/h5-7,9,11H,2-4,8,10H2,1H3/t11-/m0/s1.
What are the key properties of ethyl (3S)-1-furo[3,2-c]pyridin-4-ylpiperidine-3-carboxylate?
ethyl (3S)-1-furo[3,2-c]pyridin-4-ylpiperidine-3-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-1-furo[3,2-c]pyridin-4-ylpiperidine-3-carboxylate is sourced from PubChem (CID 99636617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).