N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide

C22H26N2O4 — CID 9399035

IUPACN-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
SMILESCOc1ccc2c(CC(=O)NC[C@@H](c3ccco3)N3CCCCC3)coc2c1
InChIInChI=1S/C22H26N2O4/c1-26-17-7-8-18-16(15-28-21(18)13-17)12-22(25)23-14-19(20-6-5-11-27-20)24-9-3-2-4-10-24/h5-8,11,13,15,19H,2-4,9-10,12,14H2,1H3,(H,23,25)/t19-/m0/s1
InChIKeyJETMHXGANDONLZ-IBGZPJMESA-N
MW382.46 g/mol
LogP3.92
Rot. Bonds7

About N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide

N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide (PubChem CID 9399035) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
PubChem CID9399035
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC NameN-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
SMILESCOc1ccc2c(CC(=O)NC[C@@H](c3ccco3)N3CCCCC3)coc2c1
InChIInChI=1S/C22H26N2O4/c1-26-17-7-8-18-16(15-28-21(18)13-17)12-22(25)23-14-19(20-6-5-11-27-20)24-9-3-2-4-10-24/h5-8,11,13,15,19H,2-4,9-10,12,14H2,1H3,(H,23,25)/t19-/m0/s1
InChIKeyJETMHXGANDONLZ-IBGZPJMESA-N
XLogP3.92
TPSA67.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-methoxybenzamide
CID 112503347
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide
CID 112503325
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 110312903
(E)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 51162669
(2S)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 18161398
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 60636600
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 93157841
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(4-methylphenyl)acetamide
CID 41099008
N-benzyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2598100
2-(3,4-dimethylphenyl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 40750980
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 8700451
2-(3-fluorophenyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide
CID 51162683

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide (CID 9399035) is N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide is COc1ccc2c(CC(=O)NC[C@@H](c3ccco3)N3CCCCC3)coc2c1.
What is the InChIKey of N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The InChIKey is JETMHXGANDONLZ-IBGZPJMESA-N. The full InChI is InChI=1S/C22H26N2O4/c1-26-17-7-8-18-16(15-28-21(18)13-17)12-22(25)23-14-19(20-6-5-11-27-20)24-9-3-2-4-10-24/h5-8,11,13,15,19H,2-4,9-10,12,14H2,1H3,(H,23,25)/t19-/m0/s1.
What are the key properties of N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide has a molecular weight of 382.46 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 9399035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).