(3,5-dimethylfuran-2-yl)-[4-[[(2S)-4-propan-2-ylmorpholin-2-yl]methyl]piperazin-1-yl]methanone

C19H31N3O3 — CID 124609049

IUPAC(3,5-dimethylfuran-2-yl)-[4-[[(2S)-4-propan-2-ylmorpholin-2-yl]methyl]piperazin-1-yl]methanone
SMILESCc1cc(C)c(C(=O)N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)o1
InChIInChI=1S/C19H31N3O3/c1-14(2)22-9-10-24-17(13-22)12-20-5-7-21(8-6-20)19(23)18-15(3)11-16(4)25-18/h11,14,17H,5-10,12-13H2,1-4H3/t17-/m0/s1
InChIKeyNALNQTXTWZIAAF-KRWDZBQOSA-N
MW349.48 g/mol
LogP1.76
Rot. Bonds4

About (3,5-dimethylfuran-2-yl)-[4-[[(2S)-4-propan-2-ylmorpholin-2-yl]methyl]piperazin-1-yl]methanone

(3,5-dimethylfuran-2-yl)-[4-[[(2S)-4-propan-2-ylmorpholin-2-yl]methyl]piperazin-1-yl]methanone (PubChem CID 124609049) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is (3,5-dimethylfuran-2-yl)-[4-[[(2S)-4-propan-2-ylmorpholin-2-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethylfuran-2-yl)-[4-[[(2S)-4-propan-2-ylmorpholin-2-yl]methyl]piperazin-1-yl]methanone
PubChem CID124609049
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name(3,5-dimethylfuran-2-yl)-[4-[[(2S)-4-propan-2-ylmorpholin-2-yl]methyl]piperazin-1-yl]methanone
SMILESCc1cc(C)c(C(=O)N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)o1
InChIInChI=1S/C19H31N3O3/c1-14(2)22-9-10-24-17(13-22)12-20-5-7-21(8-6-20)19(23)18-15(3)11-16(4)25-18/h11,14,17H,5-10,12-13H2,1-4H3/t17-/m0/s1
InChIKeyNALNQTXTWZIAAF-KRWDZBQOSA-N
XLogP1.76
TPSA49.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylfuran-2-yl)-[4-[[(2S)-4-propan-2-ylmorpholin-2-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of (3,5-dimethylfuran-2-yl)-[4-[[(2S)-4-propan-2-ylmorpholin-2-yl]methyl]piperazin-1-yl]methanone (CID 124609049) is (3,5-dimethylfuran-2-yl)-[4-[[(2S)-4-propan-2-ylmorpholin-2-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethylfuran-2-yl)-[4-[[(2S)-4-propan-2-ylmorpholin-2-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for (3,5-dimethylfuran-2-yl)-[4-[[(2S)-4-propan-2-ylmorpholin-2-yl]methyl]piperazin-1-yl]methanone is Cc1cc(C)c(C(=O)N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)o1.
What is the InChIKey of (3,5-dimethylfuran-2-yl)-[4-[[(2S)-4-propan-2-ylmorpholin-2-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is NALNQTXTWZIAAF-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-14(2)22-9-10-24-17(13-22)12-20-5-7-21(8-6-20)19(23)18-15(3)11-16(4)25-18/h11,14,17H,5-10,12-13H2,1-4H3/t17-/m0/s1.
What are the key properties of (3,5-dimethylfuran-2-yl)-[4-[[(2S)-4-propan-2-ylmorpholin-2-yl]methyl]piperazin-1-yl]methanone?
(3,5-dimethylfuran-2-yl)-[4-[[(2S)-4-propan-2-ylmorpholin-2-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 349.48 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylfuran-2-yl)-[4-[[(2S)-4-propan-2-ylmorpholin-2-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 124609049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).