(3R)-4-benzyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one

C22H26N4O4 — CID 26333955

IUPAC(3R)-4-benzyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one
SMILESO=C1NCCN(Cc2ccccc2)[C@@H]1CC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C22H26N4O4/c27-20(24-10-12-25(13-11-24)22(29)19-7-4-14-30-19)15-18-21(28)23-8-9-26(18)16-17-5-2-1-3-6-17/h1-7,14,18H,8-13,15-16H2,(H,23,28)/t18-/m1/s1
InChIKeyWOPAFCVJRMVFPT-GOSISDBHSA-N
MW410.47 g/mol
LogP0.95
Rot. Bonds5

About (3R)-4-benzyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one

(3R)-4-benzyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one (PubChem CID 26333955) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is (3R)-4-benzyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one.

Molecular Properties

Compound Name(3R)-4-benzyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one
PubChem CID26333955
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name(3R)-4-benzyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one
SMILESO=C1NCCN(Cc2ccccc2)[C@@H]1CC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C22H26N4O4/c27-20(24-10-12-25(13-11-24)22(29)19-7-4-14-30-19)15-18-21(28)23-8-9-26(18)16-17-5-2-1-3-6-17/h1-7,14,18H,8-13,15-16H2,(H,23,28)/t18-/m1/s1
InChIKeyWOPAFCVJRMVFPT-GOSISDBHSA-N
XLogP0.95
TPSA86.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-4-benzyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one with MolForge

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Related Compounds

3-[2-(azocan-1-yl)-2-oxoethyl]-4-benzylpiperazin-2-one
CID 46984429
4-benzyl-3-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one
CID 50968053
(3R)-4-(furan-3-ylmethyl)-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]piperazin-2-one
CID 26316866
4-(furan-3-ylmethyl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)piperazin-2-one
CID 45238416
N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
CID 95719193
3-[2-oxo-2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]-4-(pyridin-3-ylmethyl)piperazin-2-one
CID 45167725
1-(4-benzylpiperazin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 37377595
3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperazin-2-one
CID 45224864
4-benzyl-3-[2-(3-ethyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]piperazin-2-one
CID 75590147
2-[(2S)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
CID 95727898
4-[(2-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 45201951
(3R)-3-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethyl]-4-[(2-methylphenyl)methyl]piperazin-2-one
CID 25277529

Frequently Asked Questions

What is the IUPAC name of (3R)-4-benzyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one?
The IUPAC name of (3R)-4-benzyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one (CID 26333955) is (3R)-4-benzyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one.
What is the SMILES notation for (3R)-4-benzyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one?
The canonical SMILES for (3R)-4-benzyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one is O=C1NCCN(Cc2ccccc2)[C@@H]1CC(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of (3R)-4-benzyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one?
The InChIKey is WOPAFCVJRMVFPT-GOSISDBHSA-N. The full InChI is InChI=1S/C22H26N4O4/c27-20(24-10-12-25(13-11-24)22(29)19-7-4-14-30-19)15-18-21(28)23-8-9-26(18)16-17-5-2-1-3-6-17/h1-7,14,18H,8-13,15-16H2,(H,23,28)/t18-/m1/s1.
What are the key properties of (3R)-4-benzyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one?
(3R)-4-benzyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one has a molecular weight of 410.47 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-benzyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one is sourced from PubChem (CID 26333955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).