N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide

C18H23N3O4 — CID 134047684

IUPACN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)NC3CCN(CC(N)=O)CC3)c(C)c2c1
InChIInChI=1S/C18H23N3O4/c1-11-14-9-13(24-2)3-4-15(14)25-17(11)18(23)20-12-5-7-21(8-6-12)10-16(19)22/h3-4,9,12H,5-8,10H2,1-2H3,(H2,19,22)(H,20,23)
InChIKeySVVOEGDGSRHKGI-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.43
Rot. Bonds5

About N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 134047684) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
PubChem CID134047684
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)NC3CCN(CC(N)=O)CC3)c(C)c2c1
InChIInChI=1S/C18H23N3O4/c1-11-14-9-13(24-2)3-4-15(14)25-17(11)18(23)20-12-5-7-21(8-6-12)10-16(19)22/h3-4,9,12H,5-8,10H2,1-2H3,(H2,19,22)(H,20,23)
InChIKeySVVOEGDGSRHKGI-UHFFFAOYSA-N
XLogP1.43
TPSA97.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

ethyl 4-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]piperidine-1-carboxylate
CID 51193858
N-cyclohexyl-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2671520
5-chloro-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 32527372
1-cyclopentyl-3-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]thiourea
CID 9090114
N-(cyclohexylmethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2644358
5-methoxy-N-[1-(2-methoxyphenyl)piperidin-3-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 86965684
5-methoxy-3-methyl-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-benzofuran-2-carboxamide
CID 97315987
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-5-bromo-3-methyl-1-benzofuran-2-carboxamide
CID 16589755
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(3-methoxyphenyl)benzamide
CID 91779291
N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2469436
N-(2,6-dimethylpiperidin-1-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 3506352
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 55428292

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide (CID 134047684) is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide is COc1ccc2oc(C(=O)NC3CCN(CC(N)=O)CC3)c(C)c2c1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is SVVOEGDGSRHKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-11-14-9-13(24-2)3-4-15(14)25-17(11)18(23)20-12-5-7-21(8-6-12)10-16(19)22/h3-4,9,12H,5-8,10H2,1-2H3,(H2,19,22)(H,20,23).
What are the key properties of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 134047684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).