oxan-4-yl 3-pyridin-4-yloxypyrrolidine-1-carboxylate

C15H20N2O4 — CID 121017457

IUPACoxan-4-yl 3-pyridin-4-yloxypyrrolidine-1-carboxylate
SMILESO=C(OC1CCOCC1)N1CCC(Oc2ccncc2)C1
InChIInChI=1S/C15H20N2O4/c18-15(21-13-4-9-19-10-5-13)17-8-3-14(11-17)20-12-1-6-16-7-2-12/h1-2,6-7,13-14H,3-5,8-11H2
InChIKeyUVMWJFWQXBRKDZ-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.85
Rot. Bonds3

About oxan-4-yl 3-pyridin-4-yloxypyrrolidine-1-carboxylate

oxan-4-yl 3-pyridin-4-yloxypyrrolidine-1-carboxylate (PubChem CID 121017457) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is oxan-4-yl 3-pyridin-4-yloxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameoxan-4-yl 3-pyridin-4-yloxypyrrolidine-1-carboxylate
PubChem CID121017457
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Nameoxan-4-yl 3-pyridin-4-yloxypyrrolidine-1-carboxylate
SMILESO=C(OC1CCOCC1)N1CCC(Oc2ccncc2)C1
InChIInChI=1S/C15H20N2O4/c18-15(21-13-4-9-19-10-5-13)17-8-3-14(11-17)20-12-1-6-16-7-2-12/h1-2,6-7,13-14H,3-5,8-11H2
InChIKeyUVMWJFWQXBRKDZ-UHFFFAOYSA-N
XLogP1.85
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]propan-1-one
CID 124568628
furan-2-yl-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone
CID 124725318
(4-morpholin-4-ylphenyl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone
CID 122255930
(4-tert-butylphenyl)-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone
CID 124568876
2-[2-oxo-2-[(3S)-3-pyridin-4-yloxypyrrolidin-1-yl]ethyl]pyridazin-3-one
CID 124892826
(1-phenylcyclopropyl)-(3-pyridin-4-yloxypyrrolidin-1-yl)methanone
CID 71852474
2-amino-2-phenyl-1-(3-pyridin-4-yloxypyrrolidin-1-yl)ethanone
CID 119043365
4-(4-pyridin-4-yloxycyclohexyl)oxypiperidine-1-carboxylic acid
CID 123525099
oxan-4-yl 3-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxylate
CID 122161137
naphthalen-1-yl-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone
CID 124878377
5-[(3S)-3-pyridin-4-yloxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 124568635
2-(3-pyridin-4-yloxypyrrolidin-1-yl)acetamide
CID 175996413

Frequently Asked Questions

What is the IUPAC name of oxan-4-yl 3-pyridin-4-yloxypyrrolidine-1-carboxylate?
The IUPAC name of oxan-4-yl 3-pyridin-4-yloxypyrrolidine-1-carboxylate (CID 121017457) is oxan-4-yl 3-pyridin-4-yloxypyrrolidine-1-carboxylate.
What is the SMILES notation for oxan-4-yl 3-pyridin-4-yloxypyrrolidine-1-carboxylate?
The canonical SMILES for oxan-4-yl 3-pyridin-4-yloxypyrrolidine-1-carboxylate is O=C(OC1CCOCC1)N1CCC(Oc2ccncc2)C1.
What is the InChIKey of oxan-4-yl 3-pyridin-4-yloxypyrrolidine-1-carboxylate?
The InChIKey is UVMWJFWQXBRKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c18-15(21-13-4-9-19-10-5-13)17-8-3-14(11-17)20-12-1-6-16-7-2-12/h1-2,6-7,13-14H,3-5,8-11H2.
What are the key properties of oxan-4-yl 3-pyridin-4-yloxypyrrolidine-1-carboxylate?
oxan-4-yl 3-pyridin-4-yloxypyrrolidine-1-carboxylate has a molecular weight of 292.33 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl 3-pyridin-4-yloxypyrrolidine-1-carboxylate is sourced from PubChem (CID 121017457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).