N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]-4-methoxybenzamide

C24H24N2O5 — CID 56588504

IUPACN-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2CCN(C(=O)C(=O)c3cc4ccccc4o3)CC2)cc1
InChIInChI=1S/C24H24N2O5/c1-30-19-8-6-17(7-9-19)23(28)25-15-16-10-12-26(13-11-16)24(29)22(27)21-14-18-4-2-3-5-20(18)31-21/h2-9,14,16H,10-13,15H2,1H3,(H,25,28)
InChIKeySFSBDOUILSAFGA-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.29
Rot. Bonds6

About N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]-4-methoxybenzamide

N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]-4-methoxybenzamide (PubChem CID 56588504) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]-4-methoxybenzamide
PubChem CID56588504
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC NameN-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2CCN(C(=O)C(=O)c3cc4ccccc4o3)CC2)cc1
InChIInChI=1S/C24H24N2O5/c1-30-19-8-6-17(7-9-19)23(28)25-15-16-10-12-26(13-11-16)24(29)22(27)21-14-18-4-2-3-5-20(18)31-21/h2-9,14,16H,10-13,15H2,1H3,(H,25,28)
InChIKeySFSBDOUILSAFGA-UHFFFAOYSA-N
XLogP3.29
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]-3,5-dimethoxybenzamide
CID 56588510
N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 56588503
N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-benzofuran-2-carboxamide
CID 71480807
N-[2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]ethyl]-4-methoxybenzamide
CID 41136212
N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 56588520
N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]butane-1-sulfonamide
CID 56588472
4-methoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 16895310
[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473746
1-benzofuran-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248546
4-methoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide
CID 16895405
4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895498
4-methoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895998

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]-4-methoxybenzamide?
The IUPAC name of N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]-4-methoxybenzamide (CID 56588504) is N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]-4-methoxybenzamide.
What is the SMILES notation for N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]-4-methoxybenzamide?
The canonical SMILES for N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCC2CCN(C(=O)C(=O)c3cc4ccccc4o3)CC2)cc1.
What is the InChIKey of N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]-4-methoxybenzamide?
The InChIKey is SFSBDOUILSAFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-30-19-8-6-17(7-9-19)23(28)25-15-16-10-12-26(13-11-16)24(29)22(27)21-14-18-4-2-3-5-20(18)31-21/h2-9,14,16H,10-13,15H2,1H3,(H,25,28).
What are the key properties of N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]-4-methoxybenzamide?
N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]-4-methoxybenzamide has a molecular weight of 420.47 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]-4-methoxybenzamide is sourced from PubChem (CID 56588504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).