N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide

C22H24N4O4 — CID 86982929

IUPACN-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
SMILESCC(C)OCc1c(C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)oc2ccccc12
InChIInChI=1S/C22H24N4O4/c1-14(2)29-13-17-16-5-3-4-6-18(16)30-21(17)22(28)25-15-7-8-19(24-11-15)26-10-9-23-20(27)12-26/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,23,27)(H,25,28)
InChIKeyMPSKODBFMJAYMY-UHFFFAOYSA-N
MW408.46 g/mol
LogP2.94
Rot. Bonds6

About N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide

N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 86982929) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
PubChem CID86982929
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC NameN-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
SMILESCC(C)OCc1c(C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)oc2ccccc12
InChIInChI=1S/C22H24N4O4/c1-14(2)29-13-17-16-5-3-4-6-18(16)30-21(17)22(28)25-15-7-8-19(24-11-15)26-10-9-23-20(27)12-26/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,23,27)(H,25,28)
InChIKeyMPSKODBFMJAYMY-UHFFFAOYSA-N
XLogP2.94
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

3-(methoxymethyl)-N-(6-piperidin-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide
CID 51319285
N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 38941036
2-methoxy-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-3-carboxamide
CID 38940028
2-(2-fluorophenyl)-5-methyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1,3-oxazole-4-carboxamide
CID 99696295
4-bromo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 38941033
N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-piperidin-4-ylbutanamide
CID 119846038
5-(2-fluorophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 47029066
N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
CID 86941653
3-iodo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 38940951
2-(3-methoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide
CID 34599898
4-bromo-2-chloro-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 60511463
3-(2-methoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]but-2-enamide
CID 72685110

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide (CID 86982929) is N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide is CC(C)OCc1c(C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)oc2ccccc12.
What is the InChIKey of N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide?
The InChIKey is MPSKODBFMJAYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-14(2)29-13-17-16-5-3-4-6-18(16)30-21(17)22(28)25-15-7-8-19(24-11-15)26-10-9-23-20(27)12-26/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,23,27)(H,25,28).
What are the key properties of N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide?
N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 86982929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).