N-[4-(4-acetylpiperazine-1-carbonyl)piperidin-4-yl]-3-methyl-1-benzofuran-2-carboxamide

C22H28N4O4 — CID 23819503

IUPACN-[4-(4-acetylpiperazine-1-carbonyl)piperidin-4-yl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)C2(NC(=O)c3oc4ccccc4c3C)CCNCC2)CC1
InChIInChI=1S/C22H28N4O4/c1-15-17-5-3-4-6-18(17)30-19(15)20(28)24-22(7-9-23-10-8-22)21(29)26-13-11-25(12-14-26)16(2)27/h3-6,23H,7-14H2,1-2H3,(H,24,28)
InChIKeyIOWZWHZISJBISR-UHFFFAOYSA-N
MW412.49 g/mol
LogP1.28
Rot. Bonds3

About N-[4-(4-acetylpiperazine-1-carbonyl)piperidin-4-yl]-3-methyl-1-benzofuran-2-carboxamide

N-[4-(4-acetylpiperazine-1-carbonyl)piperidin-4-yl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 23819503) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[4-(4-acetylpiperazine-1-carbonyl)piperidin-4-yl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-acetylpiperazine-1-carbonyl)piperidin-4-yl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID23819503
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC NameN-[4-(4-acetylpiperazine-1-carbonyl)piperidin-4-yl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)C2(NC(=O)c3oc4ccccc4c3C)CCNCC2)CC1
InChIInChI=1S/C22H28N4O4/c1-15-17-5-3-4-6-18(17)30-19(15)20(28)24-22(7-9-23-10-8-22)21(29)26-13-11-25(12-14-26)16(2)27/h3-6,23H,7-14H2,1-2H3,(H,24,28)
InChIKeyIOWZWHZISJBISR-UHFFFAOYSA-N
XLogP1.28
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone
CID 24686604
1-[(3-methyl-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43351135
N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1-benzofuran-2-carboxamide
CID 115878297
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[(3-methyl-1-benzofuran-2-carbonyl)amino]piperidine-4-carboxamide
CID 23910257
1-[(3R)-3-methyl-4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone
CID 154870837
3-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1-benzofuran-2-carboxamide
CID 120812155
N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 46652829
(3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
CID 768762
3-methyl-1-benzofuran-2-carboxylic acid
CID 600591
3-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1-benzofuran-2-carboxamide
CID 108805438
(2-chlorophenyl)-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone
CID 17482867
3-methyl-N-[(1-phenylcyclopropyl)methyl]-1-benzofuran-2-carboxamide
CID 16602422

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetylpiperazine-1-carbonyl)piperidin-4-yl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-(4-acetylpiperazine-1-carbonyl)piperidin-4-yl]-3-methyl-1-benzofuran-2-carboxamide (CID 23819503) is N-[4-(4-acetylpiperazine-1-carbonyl)piperidin-4-yl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-(4-acetylpiperazine-1-carbonyl)piperidin-4-yl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-(4-acetylpiperazine-1-carbonyl)piperidin-4-yl]-3-methyl-1-benzofuran-2-carboxamide is CC(=O)N1CCN(C(=O)C2(NC(=O)c3oc4ccccc4c3C)CCNCC2)CC1.
What is the InChIKey of N-[4-(4-acetylpiperazine-1-carbonyl)piperidin-4-yl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is IOWZWHZISJBISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4/c1-15-17-5-3-4-6-18(17)30-19(15)20(28)24-22(7-9-23-10-8-22)21(29)26-13-11-25(12-14-26)16(2)27/h3-6,23H,7-14H2,1-2H3,(H,24,28).
What are the key properties of N-[4-(4-acetylpiperazine-1-carbonyl)piperidin-4-yl]-3-methyl-1-benzofuran-2-carboxamide?
N-[4-(4-acetylpiperazine-1-carbonyl)piperidin-4-yl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetylpiperazine-1-carbonyl)piperidin-4-yl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 23819503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).