2-methoxy-N-[2-(4-piperidin-1-ylpiperidine-1-carbonyl)-1-benzofuran-3-yl]benzamide

C27H31N3O4 — CID 20925967

IUPAC2-methoxy-N-[2-(4-piperidin-1-ylpiperidine-1-carbonyl)-1-benzofuran-3-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1c(C(=O)N2CCC(N3CCCCC3)CC2)oc2ccccc12
InChIInChI=1S/C27H31N3O4/c1-33-22-11-5-4-10-21(22)26(31)28-24-20-9-3-6-12-23(20)34-25(24)27(32)30-17-13-19(14-18-30)29-15-7-2-8-16-29/h3-6,9-12,19H,2,7-8,13-18H2,1H3,(H,28,31)
InChIKeyZFAXIJNEHJONAE-UHFFFAOYSA-N
MW461.56 g/mol
LogP4.78
Rot. Bonds5

About 2-methoxy-N-[2-(4-piperidin-1-ylpiperidine-1-carbonyl)-1-benzofuran-3-yl]benzamide

2-methoxy-N-[2-(4-piperidin-1-ylpiperidine-1-carbonyl)-1-benzofuran-3-yl]benzamide (PubChem CID 20925967) has the molecular formula C27H31N3O4 and a molecular weight of 461.56 g/mol. Its IUPAC name is 2-methoxy-N-[2-(4-piperidin-1-ylpiperidine-1-carbonyl)-1-benzofuran-3-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-(4-piperidin-1-ylpiperidine-1-carbonyl)-1-benzofuran-3-yl]benzamide
PubChem CID20925967
Molecular FormulaC27H31N3O4
Molecular Weight461.56 g/mol
Exact Mass461.23
IUPAC Name2-methoxy-N-[2-(4-piperidin-1-ylpiperidine-1-carbonyl)-1-benzofuran-3-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1c(C(=O)N2CCC(N3CCCCC3)CC2)oc2ccccc12
InChIInChI=1S/C27H31N3O4/c1-33-22-11-5-4-10-21(22)26(31)28-24-20-9-3-6-12-23(20)34-25(24)27(32)30-17-13-19(14-18-30)29-15-7-2-8-16-29/h3-6,9-12,19H,2,7-8,13-18H2,1H3,(H,28,31)
InChIKeyZFAXIJNEHJONAE-UHFFFAOYSA-N
XLogP4.78
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.56
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methoxybenzamide
CID 20925969
2-ethoxy-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20926220
2-fluoro-N-[2-(pyrrolidine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20926229
N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-3-methoxybenzamide
CID 20926272
N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 20926267
2-(4-methoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)-1-benzofuran-3-yl]acetamide
CID 20926232
2-methyl-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]propanamide
CID 20926300
(4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone
CID 796432
N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methylbenzamide
CID 20925872
N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methylbenzamide
CID 20925865
4-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20926026
N-cyclopropyl-1-[1-(2-methoxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56867909

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(4-piperidin-1-ylpiperidine-1-carbonyl)-1-benzofuran-3-yl]benzamide?
The IUPAC name of 2-methoxy-N-[2-(4-piperidin-1-ylpiperidine-1-carbonyl)-1-benzofuran-3-yl]benzamide (CID 20925967) is 2-methoxy-N-[2-(4-piperidin-1-ylpiperidine-1-carbonyl)-1-benzofuran-3-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-(4-piperidin-1-ylpiperidine-1-carbonyl)-1-benzofuran-3-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-(4-piperidin-1-ylpiperidine-1-carbonyl)-1-benzofuran-3-yl]benzamide is COc1ccccc1C(=O)Nc1c(C(=O)N2CCC(N3CCCCC3)CC2)oc2ccccc12.
What is the InChIKey of 2-methoxy-N-[2-(4-piperidin-1-ylpiperidine-1-carbonyl)-1-benzofuran-3-yl]benzamide?
The InChIKey is ZFAXIJNEHJONAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O4/c1-33-22-11-5-4-10-21(22)26(31)28-24-20-9-3-6-12-23(20)34-25(24)27(32)30-17-13-19(14-18-30)29-15-7-2-8-16-29/h3-6,9-12,19H,2,7-8,13-18H2,1H3,(H,28,31).
What are the key properties of 2-methoxy-N-[2-(4-piperidin-1-ylpiperidine-1-carbonyl)-1-benzofuran-3-yl]benzamide?
2-methoxy-N-[2-(4-piperidin-1-ylpiperidine-1-carbonyl)-1-benzofuran-3-yl]benzamide has a molecular weight of 461.56 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(4-piperidin-1-ylpiperidine-1-carbonyl)-1-benzofuran-3-yl]benzamide is sourced from PubChem (CID 20925967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).