N-[2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]ethyl]-4-methoxybenzamide

C23H25N3O4 — CID 41136212

IUPACN-[2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCN2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1
InChIInChI=1S/C23H25N3O4/c1-29-19-8-6-17(7-9-19)22(27)24-10-11-25-12-14-26(15-13-25)23(28)21-16-18-4-2-3-5-20(18)30-21/h2-9,16H,10-15H2,1H3,(H,24,27)
InChIKeyLSMKIZGWFVZIKU-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.63
Rot. Bonds6

About N-[2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]ethyl]-4-methoxybenzamide

N-[2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]ethyl]-4-methoxybenzamide (PubChem CID 41136212) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]ethyl]-4-methoxybenzamide
PubChem CID41136212
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC NameN-[2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCN2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1
InChIInChI=1S/C23H25N3O4/c1-29-19-8-6-17(7-9-19)22(27)24-10-11-25-12-14-26(15-13-25)23(28)21-16-18-4-2-3-5-20(18)30-21/h2-9,16H,10-15H2,1H3,(H,24,27)
InChIKeyLSMKIZGWFVZIKU-UHFFFAOYSA-N
XLogP2.63
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-benzofuran-2-carboxamide
CID 71480807
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methoxybenzamide
CID 39985567
N-[1-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 46404918
1-benzofuran-2-yl-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 37351016
N-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]ethyl]-4-methoxybenzamide
CID 41135956
4-methoxy-N-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide
CID 139726509
4-methoxy-N-[2-(4-propanoylpiperazin-1-yl)ethyl]benzamide
CID 29207362
[2-[4-[2-[(4-methoxybenzoyl)amino]ethyl]piperazine-1-carbonyl]phenyl] acetate
CID 41136272
[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473746
4-methoxy-N-[2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide
CID 41136027
N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]-4-methoxybenzamide
CID 56588504
1-benzofuran-2-yl-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone
CID 42532487

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]ethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]ethyl]-4-methoxybenzamide (CID 41136212) is N-[2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCN2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1.
What is the InChIKey of N-[2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]ethyl]-4-methoxybenzamide?
The InChIKey is LSMKIZGWFVZIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-29-19-8-6-17(7-9-19)22(27)24-10-11-25-12-14-26(15-13-25)23(28)21-16-18-4-2-3-5-20(18)30-21/h2-9,16H,10-15H2,1H3,(H,24,27).
What are the key properties of N-[2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]ethyl]-4-methoxybenzamide?
N-[2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]ethyl]-4-methoxybenzamide has a molecular weight of 407.47 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]ethyl]-4-methoxybenzamide is sourced from PubChem (CID 41136212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).