2-[(2R)-1-(dibenzofuran-4-ylmethyl)-3-oxopiperazin-2-yl]acetic acid

C19H18N2O4 — CID 124853278

IUPAC2-[(2R)-1-(dibenzofuran-4-ylmethyl)-3-oxopiperazin-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1C(=O)NCCN1Cc1cccc2c1oc1ccccc12
InChIInChI=1S/C19H18N2O4/c22-17(23)10-15-19(24)20-8-9-21(15)11-12-4-3-6-14-13-5-1-2-7-16(13)25-18(12)14/h1-7,15H,8-11H2,(H,20,24)(H,22,23)/t15-/m1/s1
InChIKeyVRZNSCWWFWOBPD-OAHLLOKOSA-N
MW338.36 g/mol
LogP2.36
Rot. Bonds4

About 2-[(2R)-1-(dibenzofuran-4-ylmethyl)-3-oxopiperazin-2-yl]acetic acid

2-[(2R)-1-(dibenzofuran-4-ylmethyl)-3-oxopiperazin-2-yl]acetic acid (PubChem CID 124853278) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 2-[(2R)-1-(dibenzofuran-4-ylmethyl)-3-oxopiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-1-(dibenzofuran-4-ylmethyl)-3-oxopiperazin-2-yl]acetic acid
PubChem CID124853278
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name2-[(2R)-1-(dibenzofuran-4-ylmethyl)-3-oxopiperazin-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1C(=O)NCCN1Cc1cccc2c1oc1ccccc12
InChIInChI=1S/C19H18N2O4/c22-17(23)10-15-19(24)20-8-9-21(15)11-12-4-3-6-14-13-5-1-2-7-16(13)25-18(12)14/h1-7,15H,8-11H2,(H,20,24)(H,22,23)/t15-/m1/s1
InChIKeyVRZNSCWWFWOBPD-OAHLLOKOSA-N
XLogP2.36
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetic acid
CID 952252
2-[1-[(2,4-dihydroxyphenyl)methyl]-3-oxopiperazin-2-yl]acetic acid
CID 65071302
2-[1-[[2-(2-methoxyethoxy)phenyl]methyl]-3-oxopiperazin-2-yl]acetic acid
CID 54848246
N,N-diethyl-2-[(2S)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 95728099
N-methyl-2-[1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 56887158
(3R)-4-(naphthalen-1-ylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 95708042
N,N-bis(2-hydroxyethyl)-2-[(2R)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 95714705
2-[1-[(3-hydroxyphenyl)methyl]-3-oxopiperazin-2-yl]acetic acid
CID 65071352
2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]acetic acid
CID 3519215
2-[1-[[2-(3-methylbutoxy)phenyl]methyl]-3-oxopiperazin-2-yl]acetic acid
CID 54848213
2-[1-[(2-heptoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetic acid
CID 54848182
2-[1-[(2-butan-2-yloxy-3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetic acid
CID 54848078

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(dibenzofuran-4-ylmethyl)-3-oxopiperazin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-1-(dibenzofuran-4-ylmethyl)-3-oxopiperazin-2-yl]acetic acid (CID 124853278) is 2-[(2R)-1-(dibenzofuran-4-ylmethyl)-3-oxopiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-1-(dibenzofuran-4-ylmethyl)-3-oxopiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-1-(dibenzofuran-4-ylmethyl)-3-oxopiperazin-2-yl]acetic acid is O=C(O)C[C@@H]1C(=O)NCCN1Cc1cccc2c1oc1ccccc12.
What is the InChIKey of 2-[(2R)-1-(dibenzofuran-4-ylmethyl)-3-oxopiperazin-2-yl]acetic acid?
The InChIKey is VRZNSCWWFWOBPD-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H18N2O4/c22-17(23)10-15-19(24)20-8-9-21(15)11-12-4-3-6-14-13-5-1-2-7-16(13)25-18(12)14/h1-7,15H,8-11H2,(H,20,24)(H,22,23)/t15-/m1/s1.
What are the key properties of 2-[(2R)-1-(dibenzofuran-4-ylmethyl)-3-oxopiperazin-2-yl]acetic acid?
2-[(2R)-1-(dibenzofuran-4-ylmethyl)-3-oxopiperazin-2-yl]acetic acid has a molecular weight of 338.36 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(dibenzofuran-4-ylmethyl)-3-oxopiperazin-2-yl]acetic acid is sourced from PubChem (CID 124853278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).