N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-propanoylpiperidine-2-carboxamide

C20H26N2O4 — CID 55963621

IUPACN-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-propanoylpiperidine-2-carboxamide
SMILESCCC(=O)N1CCCCC1C(=O)NC(C)c1cc2cccc(OC)c2o1
InChIInChI=1S/C20H26N2O4/c1-4-18(23)22-11-6-5-9-15(22)20(24)21-13(2)17-12-14-8-7-10-16(25-3)19(14)26-17/h7-8,10,12-13,15H,4-6,9,11H2,1-3H3,(H,21,24)
InChIKeyZEGHCAAIXMYRJO-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.41
Rot. Bonds5

About N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-propanoylpiperidine-2-carboxamide

N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-propanoylpiperidine-2-carboxamide (PubChem CID 55963621) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-propanoylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-propanoylpiperidine-2-carboxamide
PubChem CID55963621
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC NameN-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-propanoylpiperidine-2-carboxamide
SMILESCCC(=O)N1CCCCC1C(=O)NC(C)c1cc2cccc(OC)c2o1
InChIInChI=1S/C20H26N2O4/c1-4-18(23)22-11-6-5-9-15(22)20(24)21-13(2)17-12-14-8-7-10-16(25-3)19(14)26-17/h7-8,10,12-13,15H,4-6,9,11H2,1-3H3,(H,21,24)
InChIKeyZEGHCAAIXMYRJO-UHFFFAOYSA-N
XLogP3.41
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-propanoylpiperidine-2-carboxamide
CID 94141438
(2R)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-propanoylpiperidine-2-carboxamide
CID 94141437
tert-butyl 2-[1-(7-ethoxy-1-benzofuran-2-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 55396395
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 55396138
N-[1-(1-benzofuran-2-yl)ethyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide
CID 55730052
(4S)-N-[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-oxoimidazolidine-4-carboxamide
CID 97088240
N-(cyclohexylmethyl)-1-(7-methoxy-1-benzofuran-2-yl)ethanamine
CID 43244143
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015116
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]piperidine-4-carboxamide
CID 119273307
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]cyclopentanamine
CID 43200727
N-[2-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 17403478
N-[2-[[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 41095730

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-propanoylpiperidine-2-carboxamide?
The IUPAC name of N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-propanoylpiperidine-2-carboxamide (CID 55963621) is N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-propanoylpiperidine-2-carboxamide.
What is the SMILES notation for N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-propanoylpiperidine-2-carboxamide?
The canonical SMILES for N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-propanoylpiperidine-2-carboxamide is CCC(=O)N1CCCCC1C(=O)NC(C)c1cc2cccc(OC)c2o1.
What is the InChIKey of N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-propanoylpiperidine-2-carboxamide?
The InChIKey is ZEGHCAAIXMYRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-4-18(23)22-11-6-5-9-15(22)20(24)21-13(2)17-12-14-8-7-10-16(25-3)19(14)26-17/h7-8,10,12-13,15H,4-6,9,11H2,1-3H3,(H,21,24).
What are the key properties of N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-propanoylpiperidine-2-carboxamide?
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-propanoylpiperidine-2-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-propanoylpiperidine-2-carboxamide is sourced from PubChem (CID 55963621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).