N-[(3R,4S)-1-(2-hydroxyethyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-2-(2-oxopiperidin-1-yl)acetamide

C18H27N3O4 — CID 72863207

IUPACN-[(3R,4S)-1-(2-hydroxyethyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-2-(2-oxopiperidin-1-yl)acetamide
SMILESCc1ccc([C@H]2CN(CCO)C[C@@H]2NC(=O)CN2CCCCC2=O)o1
InChIInChI=1S/C18H27N3O4/c1-13-5-6-16(25-13)14-10-20(8-9-22)11-15(14)19-17(23)12-21-7-3-2-4-18(21)24/h5-6,14-15,22H,2-4,7-12H2,1H3,(H,19,23)/t14-,15-/m0/s1
InChIKeyCPYIUQINYCUUSW-GJZGRUSLSA-N
MW349.43 g/mol
LogP0.48
Rot. Bonds6

About N-[(3R,4S)-1-(2-hydroxyethyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-2-(2-oxopiperidin-1-yl)acetamide

N-[(3R,4S)-1-(2-hydroxyethyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-2-(2-oxopiperidin-1-yl)acetamide (PubChem CID 72863207) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[(3R,4S)-1-(2-hydroxyethyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-2-(2-oxopiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-(2-hydroxyethyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-2-(2-oxopiperidin-1-yl)acetamide
PubChem CID72863207
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC NameN-[(3R,4S)-1-(2-hydroxyethyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-2-(2-oxopiperidin-1-yl)acetamide
SMILESCc1ccc([C@H]2CN(CCO)C[C@@H]2NC(=O)CN2CCCCC2=O)o1
InChIInChI=1S/C18H27N3O4/c1-13-5-6-16(25-13)14-10-20(8-9-22)11-15(14)19-17(23)12-21-7-3-2-4-18(21)24/h5-6,14-15,22H,2-4,7-12H2,1H3,(H,19,23)/t14-,15-/m0/s1
InChIKeyCPYIUQINYCUUSW-GJZGRUSLSA-N
XLogP0.48
TPSA86.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-(2-hydroxyethyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-2-(2-oxopiperidin-1-yl)acetamide?
The IUPAC name of N-[(3R,4S)-1-(2-hydroxyethyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-2-(2-oxopiperidin-1-yl)acetamide (CID 72863207) is N-[(3R,4S)-1-(2-hydroxyethyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-2-(2-oxopiperidin-1-yl)acetamide.
What is the SMILES notation for N-[(3R,4S)-1-(2-hydroxyethyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-2-(2-oxopiperidin-1-yl)acetamide?
The canonical SMILES for N-[(3R,4S)-1-(2-hydroxyethyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-2-(2-oxopiperidin-1-yl)acetamide is Cc1ccc([C@H]2CN(CCO)C[C@@H]2NC(=O)CN2CCCCC2=O)o1.
What is the InChIKey of N-[(3R,4S)-1-(2-hydroxyethyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-2-(2-oxopiperidin-1-yl)acetamide?
The InChIKey is CPYIUQINYCUUSW-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-13-5-6-16(25-13)14-10-20(8-9-22)11-15(14)19-17(23)12-21-7-3-2-4-18(21)24/h5-6,14-15,22H,2-4,7-12H2,1H3,(H,19,23)/t14-,15-/m0/s1.
What are the key properties of N-[(3R,4S)-1-(2-hydroxyethyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-2-(2-oxopiperidin-1-yl)acetamide?
N-[(3R,4S)-1-(2-hydroxyethyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-2-(2-oxopiperidin-1-yl)acetamide has a molecular weight of 349.43 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-(2-hydroxyethyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-2-(2-oxopiperidin-1-yl)acetamide is sourced from PubChem (CID 72863207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).