6-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one

C19H29N3O3 — CID 163200031

IUPAC6-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one
SMILESCc1ccc([C@@H]2CCCN2C2CC(N3CCOC[C@H]3C)CC(=O)N2)o1
InChIInChI=1S/C19H29N3O3/c1-13-12-24-9-8-21(13)15-10-18(20-19(23)11-15)22-7-3-4-16(22)17-6-5-14(2)25-17/h5-6,13,15-16,18H,3-4,7-12H2,1-2H3,(H,20,23)/t13-,15?,16+,18?/m1/s1
InChIKeyIHHOXYBWCSUMPX-REUGXJQISA-N
MW347.46 g/mol
LogP2.05
Rot. Bonds3

About 6-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one

6-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one (PubChem CID 163200031) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 6-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one.

Molecular Properties

Compound Name6-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one
PubChem CID163200031
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name6-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one
SMILESCc1ccc([C@@H]2CCCN2C2CC(N3CCOC[C@H]3C)CC(=O)N2)o1
InChIInChI=1S/C19H29N3O3/c1-13-12-24-9-8-21(13)15-10-18(20-19(23)11-15)22-7-3-4-16(22)17-6-5-14(2)25-17/h5-6,13,15-16,18H,3-4,7-12H2,1-2H3,(H,20,23)/t13-,15?,16+,18?/m1/s1
InChIKeyIHHOXYBWCSUMPX-REUGXJQISA-N
XLogP2.05
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one?
The IUPAC name of 6-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one (CID 163200031) is 6-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one.
What is the SMILES notation for 6-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one?
The canonical SMILES for 6-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one is Cc1ccc([C@@H]2CCCN2C2CC(N3CCOC[C@H]3C)CC(=O)N2)o1.
What is the InChIKey of 6-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one?
The InChIKey is IHHOXYBWCSUMPX-REUGXJQISA-N. The full InChI is InChI=1S/C19H29N3O3/c1-13-12-24-9-8-21(13)15-10-18(20-19(23)11-15)22-7-3-4-16(22)17-6-5-14(2)25-17/h5-6,13,15-16,18H,3-4,7-12H2,1-2H3,(H,20,23)/t13-,15?,16+,18?/m1/s1.
What are the key properties of 6-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one?
6-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one has a molecular weight of 347.46 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one is sourced from PubChem (CID 163200031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).