(3R)-4-(furan-3-ylmethyl)-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]piperazin-2-one

C23H29N3O4 — CID 26316866

IUPAC(3R)-4-(furan-3-ylmethyl)-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]piperazin-2-one
SMILESO=C1NCCN(Cc2ccoc2)[C@@H]1CC(=O)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C23H29N3O4/c27-22(14-21-23(28)24-9-12-26(21)15-19-8-13-29-16-19)25-10-6-20(7-11-25)30-17-18-4-2-1-3-5-18/h1-5,8,13,16,20-21H,6-7,9-12,14-15,17H2,(H,24,28)/t21-/m1/s1
InChIKeyGCXGWPVSMGQOPO-OAQYLSRUSA-N
MW411.50 g/mol
LogP2.18
Rot. Bonds7

About (3R)-4-(furan-3-ylmethyl)-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]piperazin-2-one

(3R)-4-(furan-3-ylmethyl)-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]piperazin-2-one (PubChem CID 26316866) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is (3R)-4-(furan-3-ylmethyl)-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]piperazin-2-one.

Molecular Properties

Compound Name(3R)-4-(furan-3-ylmethyl)-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]piperazin-2-one
PubChem CID26316866
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name(3R)-4-(furan-3-ylmethyl)-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]piperazin-2-one
SMILESO=C1NCCN(Cc2ccoc2)[C@@H]1CC(=O)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C23H29N3O4/c27-22(14-21-23(28)24-9-12-26(21)15-19-8-13-29-16-19)25-10-6-20(7-11-25)30-17-18-4-2-1-3-5-18/h1-5,8,13,16,20-21H,6-7,9-12,14-15,17H2,(H,24,28)/t21-/m1/s1
InChIKeyGCXGWPVSMGQOPO-OAQYLSRUSA-N
XLogP2.18
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-4-(furan-3-ylmethyl)-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]piperazin-2-one with MolForge

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Related Compounds

4-(furan-3-ylmethyl)-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]piperazin-2-one
CID 45227835
4-(furan-3-ylmethyl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)piperazin-2-one
CID 45238416
2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]acetic acid
CID 3519215
4-(furan-3-ylmethyl)-3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one
CID 45170722
3-[2-(azocan-1-yl)-2-oxoethyl]-4-benzylpiperazin-2-one
CID 46984429
(3S)-3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-4-(furan-3-ylmethyl)piperazin-2-one
CID 26407343
(3R)-4-benzyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one
CID 26333955
(3R)-3-[2-[4-(2-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-4-[(4-methylphenyl)methyl]piperazin-2-one
CID 25457354
(3R)-3-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]-4-[(3-fluorophenyl)methyl]piperazin-2-one
CID 42404182
4-benzyl-3-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one
CID 50968053
3-[2-oxo-2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]-4-(pyridin-3-ylmethyl)piperazin-2-one
CID 45167725
(3S)-4-[(3-fluorophenyl)methyl]-3-[2-[4-(2-methylphenoxy)piperidin-1-yl]-2-oxoethyl]piperazin-2-one
CID 42594951

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(furan-3-ylmethyl)-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]piperazin-2-one?
The IUPAC name of (3R)-4-(furan-3-ylmethyl)-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]piperazin-2-one (CID 26316866) is (3R)-4-(furan-3-ylmethyl)-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]piperazin-2-one.
What is the SMILES notation for (3R)-4-(furan-3-ylmethyl)-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]piperazin-2-one?
The canonical SMILES for (3R)-4-(furan-3-ylmethyl)-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]piperazin-2-one is O=C1NCCN(Cc2ccoc2)[C@@H]1CC(=O)N1CCC(OCc2ccccc2)CC1.
What is the InChIKey of (3R)-4-(furan-3-ylmethyl)-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]piperazin-2-one?
The InChIKey is GCXGWPVSMGQOPO-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H29N3O4/c27-22(14-21-23(28)24-9-12-26(21)15-19-8-13-29-16-19)25-10-6-20(7-11-25)30-17-18-4-2-1-3-5-18/h1-5,8,13,16,20-21H,6-7,9-12,14-15,17H2,(H,24,28)/t21-/m1/s1.
What are the key properties of (3R)-4-(furan-3-ylmethyl)-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]piperazin-2-one?
(3R)-4-(furan-3-ylmethyl)-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]piperazin-2-one has a molecular weight of 411.50 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(furan-3-ylmethyl)-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]piperazin-2-one is sourced from PubChem (CID 26316866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).