N-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-[(2R)-5-oxooxolane-2-carbonyl]piperazin-1-yl]acetamide

C19H23N3O7 — CID 147307596

IUPACN-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-[(2R)-5-oxooxolane-2-carbonyl]piperazin-1-yl]acetamide
SMILESCOc1cc2c(cc1NC(=O)CN1CCN(C(=O)[C@H]3CCC(=O)O3)CC1)OCO2
InChIInChI=1S/C19H23N3O7/c1-26-14-9-16-15(27-11-28-16)8-12(14)20-17(23)10-21-4-6-22(7-5-21)19(25)13-2-3-18(24)29-13/h8-9,13H,2-7,10-11H2,1H3,(H,20,23)/t13-/m1/s1
InChIKeyCXHWPGSNQCEZFD-CYBMUJFWSA-N
MW405.41 g/mol
LogP0.21
Rot. Bonds5

About N-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-[(2R)-5-oxooxolane-2-carbonyl]piperazin-1-yl]acetamide

N-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-[(2R)-5-oxooxolane-2-carbonyl]piperazin-1-yl]acetamide (PubChem CID 147307596) has the molecular formula C19H23N3O7 and a molecular weight of 405.41 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-[(2R)-5-oxooxolane-2-carbonyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-[(2R)-5-oxooxolane-2-carbonyl]piperazin-1-yl]acetamide
PubChem CID147307596
Molecular FormulaC19H23N3O7
Molecular Weight405.41 g/mol
Exact Mass405.15
IUPAC NameN-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-[(2R)-5-oxooxolane-2-carbonyl]piperazin-1-yl]acetamide
SMILESCOc1cc2c(cc1NC(=O)CN1CCN(C(=O)[C@H]3CCC(=O)O3)CC1)OCO2
InChIInChI=1S/C19H23N3O7/c1-26-14-9-16-15(27-11-28-16)8-12(14)20-17(23)10-21-4-6-22(7-5-21)19(25)13-2-3-18(24)29-13/h8-9,13H,2-7,10-11H2,1H3,(H,20,23)/t13-/m1/s1
InChIKeyCXHWPGSNQCEZFD-CYBMUJFWSA-N
XLogP0.21
TPSA106.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-[2-(oxan-4-yl)acetyl]piperazin-1-yl]acetamide
CID 152934431
N-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]acetamide
CID 147880604
2-[4-(3,4-dihydroxybenzoyl)piperazin-1-yl]-N-(6-methoxy-1,3-benzodioxol-5-yl)acetamide
CID 166005006
2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-(6-methoxy-1,3-benzodioxol-5-yl)acetamide
CID 166005024
N-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-(1-methyltriazole-4-carbonyl)piperazin-1-yl]acetamide
CID 166004962
N-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]acetamide
CID 166004921
2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-(6-methoxy-1,3-benzodioxol-5-yl)acetamide
CID 166004891
2-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-N-(6-methoxy-1,3-benzodioxol-5-yl)acetamide
CID 166004983
2-[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 9368281
N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 166005001
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide
CID 35229072
N-(2,4-dimethoxyphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 18086226

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-[(2R)-5-oxooxolane-2-carbonyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-[(2R)-5-oxooxolane-2-carbonyl]piperazin-1-yl]acetamide (CID 147307596) is N-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-[(2R)-5-oxooxolane-2-carbonyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-[(2R)-5-oxooxolane-2-carbonyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-[(2R)-5-oxooxolane-2-carbonyl]piperazin-1-yl]acetamide is COc1cc2c(cc1NC(=O)CN1CCN(C(=O)[C@H]3CCC(=O)O3)CC1)OCO2.
What is the InChIKey of N-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-[(2R)-5-oxooxolane-2-carbonyl]piperazin-1-yl]acetamide?
The InChIKey is CXHWPGSNQCEZFD-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23N3O7/c1-26-14-9-16-15(27-11-28-16)8-12(14)20-17(23)10-21-4-6-22(7-5-21)19(25)13-2-3-18(24)29-13/h8-9,13H,2-7,10-11H2,1H3,(H,20,23)/t13-/m1/s1.
What are the key properties of N-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-[(2R)-5-oxooxolane-2-carbonyl]piperazin-1-yl]acetamide?
N-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-[(2R)-5-oxooxolane-2-carbonyl]piperazin-1-yl]acetamide has a molecular weight of 405.41 g/mol, XLogP of 0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-[(2R)-5-oxooxolane-2-carbonyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 147307596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).