N-[1-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide

C26H29N3O5 — CID 46404918

IUPACN-[1-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C(=O)N2CCN(C(=O)c3cc4ccccc4o3)CC2)C(C)C)cc1
InChIInChI=1S/C26H29N3O5/c1-17(2)23(27-24(30)18-8-10-20(33-3)11-9-18)26(32)29-14-12-28(13-15-29)25(31)22-16-19-6-4-5-7-21(19)34-22/h4-11,16-17,23H,12-15H2,1-3H3,(H,27,30)
InChIKeyGBHDKBTVPHOOGK-UHFFFAOYSA-N
MW463.53 g/mol
LogP3.18
Rot. Bonds6

About N-[1-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide

N-[1-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide (PubChem CID 46404918) has the molecular formula C26H29N3O5 and a molecular weight of 463.53 g/mol. Its IUPAC name is N-[1-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
PubChem CID46404918
Molecular FormulaC26H29N3O5
Molecular Weight463.53 g/mol
Exact Mass463.21
IUPAC NameN-[1-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C(=O)N2CCN(C(=O)c3cc4ccccc4o3)CC2)C(C)C)cc1
InChIInChI=1S/C26H29N3O5/c1-17(2)23(27-24(30)18-8-10-20(33-3)11-9-18)26(32)29-14-12-28(13-15-29)25(31)22-16-19-6-4-5-7-21(19)34-22/h4-11,16-17,23H,12-15H2,1-3H3,(H,27,30)
InChIKeyGBHDKBTVPHOOGK-UHFFFAOYSA-N
XLogP3.18
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]ethyl]-4-methoxybenzamide
CID 41136212
4-methoxy-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide
CID 7997539
ethyl 4-[(2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]piperazine-1-carboxylate
CID 40742327
[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473746
N-[(2S)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 7765651
1-benzofuran-2-yl-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 37351016
N-[4-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]phenyl]-4-(2-methylpropoxy)benzamide
CID 17092053
4-tert-butyl-N-[(2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55944109
N-[(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 7997587
N-[(2R)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 40652874
1-benzofuran-2-yl-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121060205
N-[1-(1,4-diazepan-1-yl)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide;hydrochloride
CID 119416007

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide?
The IUPAC name of N-[1-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide (CID 46404918) is N-[1-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[1-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide?
The canonical SMILES for N-[1-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide is COc1ccc(C(=O)NC(C(=O)N2CCN(C(=O)c3cc4ccccc4o3)CC2)C(C)C)cc1.
What is the InChIKey of N-[1-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide?
The InChIKey is GBHDKBTVPHOOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5/c1-17(2)23(27-24(30)18-8-10-20(33-3)11-9-18)26(32)29-14-12-28(13-15-29)25(31)22-16-19-6-4-5-7-21(19)34-22/h4-11,16-17,23H,12-15H2,1-3H3,(H,27,30).
What are the key properties of N-[1-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide?
N-[1-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide has a molecular weight of 463.53 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 46404918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).