4-[(2S,3R)-1-(furan-3-ylmethyl)-2-(pyridin-4-ylmethyl)pyrrolidin-3-yl]morpholine

C19H25N3O2 — CID 97471082

IUPAC4-[(2S,3R)-1-(furan-3-ylmethyl)-2-(pyridin-4-ylmethyl)pyrrolidin-3-yl]morpholine
SMILESc1cc(C[C@H]2[C@H](N3CCOCC3)CCN2Cc2ccoc2)ccn1
InChIInChI=1S/C19H25N3O2/c1-5-20-6-2-16(1)13-19-18(21-8-11-23-12-9-21)3-7-22(19)14-17-4-10-24-15-17/h1-2,4-6,10,15,18-19H,3,7-9,11-14H2/t18-,19+/m1/s1
InChIKeySMUCDFHPSLRETG-MOPGFXCFSA-N
MW327.43 g/mol
LogP2.19
Rot. Bonds5

About 4-[(2S,3R)-1-(furan-3-ylmethyl)-2-(pyridin-4-ylmethyl)pyrrolidin-3-yl]morpholine

4-[(2S,3R)-1-(furan-3-ylmethyl)-2-(pyridin-4-ylmethyl)pyrrolidin-3-yl]morpholine (PubChem CID 97471082) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-[(2S,3R)-1-(furan-3-ylmethyl)-2-(pyridin-4-ylmethyl)pyrrolidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[(2S,3R)-1-(furan-3-ylmethyl)-2-(pyridin-4-ylmethyl)pyrrolidin-3-yl]morpholine
PubChem CID97471082
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name4-[(2S,3R)-1-(furan-3-ylmethyl)-2-(pyridin-4-ylmethyl)pyrrolidin-3-yl]morpholine
SMILESc1cc(C[C@H]2[C@H](N3CCOCC3)CCN2Cc2ccoc2)ccn1
InChIInChI=1S/C19H25N3O2/c1-5-20-6-2-16(1)13-19-18(21-8-11-23-12-9-21)3-7-22(19)14-17-4-10-24-15-17/h1-2,4-6,10,15,18-19H,3,7-9,11-14H2/t18-,19+/m1/s1
InChIKeySMUCDFHPSLRETG-MOPGFXCFSA-N
XLogP2.19
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S,3R)-1-(furan-3-ylmethyl)-2-(pyridin-4-ylmethyl)pyrrolidin-3-yl]morpholine?
The IUPAC name of 4-[(2S,3R)-1-(furan-3-ylmethyl)-2-(pyridin-4-ylmethyl)pyrrolidin-3-yl]morpholine (CID 97471082) is 4-[(2S,3R)-1-(furan-3-ylmethyl)-2-(pyridin-4-ylmethyl)pyrrolidin-3-yl]morpholine.
What is the SMILES notation for 4-[(2S,3R)-1-(furan-3-ylmethyl)-2-(pyridin-4-ylmethyl)pyrrolidin-3-yl]morpholine?
The canonical SMILES for 4-[(2S,3R)-1-(furan-3-ylmethyl)-2-(pyridin-4-ylmethyl)pyrrolidin-3-yl]morpholine is c1cc(C[C@H]2[C@H](N3CCOCC3)CCN2Cc2ccoc2)ccn1.
What is the InChIKey of 4-[(2S,3R)-1-(furan-3-ylmethyl)-2-(pyridin-4-ylmethyl)pyrrolidin-3-yl]morpholine?
The InChIKey is SMUCDFHPSLRETG-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-5-20-6-2-16(1)13-19-18(21-8-11-23-12-9-21)3-7-22(19)14-17-4-10-24-15-17/h1-2,4-6,10,15,18-19H,3,7-9,11-14H2/t18-,19+/m1/s1.
What are the key properties of 4-[(2S,3R)-1-(furan-3-ylmethyl)-2-(pyridin-4-ylmethyl)pyrrolidin-3-yl]morpholine?
4-[(2S,3R)-1-(furan-3-ylmethyl)-2-(pyridin-4-ylmethyl)pyrrolidin-3-yl]morpholine has a molecular weight of 327.43 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,3R)-1-(furan-3-ylmethyl)-2-(pyridin-4-ylmethyl)pyrrolidin-3-yl]morpholine is sourced from PubChem (CID 97471082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).