methyl (3R)-3-[(7-methoxy-1-benzofuran-2-yl)methylcarbamoyl]piperidine-1-carboxylate

C18H22N2O5 — CID 95352052

IUPACmethyl (3R)-3-[(7-methoxy-1-benzofuran-2-yl)methylcarbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC[C@@H](C(=O)NCc2cc3cccc(OC)c3o2)C1
InChIInChI=1S/C18H22N2O5/c1-23-15-7-3-5-12-9-14(25-16(12)15)10-19-17(21)13-6-4-8-20(11-13)18(22)24-2/h3,5,7,9,13H,4,6,8,10-11H2,1-2H3,(H,19,21)/t13-/m1/s1
InChIKeyUOJQNUIRXPGRLD-CYBMUJFWSA-N
MW346.38 g/mol
LogP2.54
Rot. Bonds4

About methyl (3R)-3-[(7-methoxy-1-benzofuran-2-yl)methylcarbamoyl]piperidine-1-carboxylate

methyl (3R)-3-[(7-methoxy-1-benzofuran-2-yl)methylcarbamoyl]piperidine-1-carboxylate (PubChem CID 95352052) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is methyl (3R)-3-[(7-methoxy-1-benzofuran-2-yl)methylcarbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-3-[(7-methoxy-1-benzofuran-2-yl)methylcarbamoyl]piperidine-1-carboxylate
PubChem CID95352052
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Namemethyl (3R)-3-[(7-methoxy-1-benzofuran-2-yl)methylcarbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC[C@@H](C(=O)NCc2cc3cccc(OC)c3o2)C1
InChIInChI=1S/C18H22N2O5/c1-23-15-7-3-5-12-9-14(25-16(12)15)10-19-17(21)13-6-4-8-20(11-13)18(22)24-2/h3,5,7,9,13H,4,6,8,10-11H2,1-2H3,(H,19,21)/t13-/m1/s1
InChIKeyUOJQNUIRXPGRLD-CYBMUJFWSA-N
XLogP2.54
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (3R)-3-[(7-methoxy-1-benzofuran-2-yl)methylcarbamoyl]piperidine-1-carboxylate with MolForge

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Related Compounds

(3R)-N-[(2-methoxyphenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 94082698
N-[(7-methoxy-1-benzofuran-2-yl)methyl]piperidin-1-amine
CID 83007192
(3S)-1-(7-methoxy-1-benzofuran-2-carbonyl)piperidine-3-carboxylic acid
CID 99639026
1-cyclopentyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]methanamine
CID 43432532
1-[3-ethyl-4-[(7-methoxy-1-benzofuran-2-yl)methylamino]piperidin-1-yl]ethanone
CID 71927456
(3S)-3-N-[(2-methoxyphenyl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9083501
tert-butyl 3-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 18116301
(3R)-1-acetyl-N-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 52512867
(3R)-1-(2-chlorobenzoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 94082337
N-[(2-methoxyphenyl)methyl]-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 43921128
(3R)-1-N-phenyl-3-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1,3-dicarboxamide
CID 8532806
N-[2-(2-methoxyphenyl)ethyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 50803996

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-[(7-methoxy-1-benzofuran-2-yl)methylcarbamoyl]piperidine-1-carboxylate?
The IUPAC name of methyl (3R)-3-[(7-methoxy-1-benzofuran-2-yl)methylcarbamoyl]piperidine-1-carboxylate (CID 95352052) is methyl (3R)-3-[(7-methoxy-1-benzofuran-2-yl)methylcarbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl (3R)-3-[(7-methoxy-1-benzofuran-2-yl)methylcarbamoyl]piperidine-1-carboxylate?
The canonical SMILES for methyl (3R)-3-[(7-methoxy-1-benzofuran-2-yl)methylcarbamoyl]piperidine-1-carboxylate is COC(=O)N1CCC[C@@H](C(=O)NCc2cc3cccc(OC)c3o2)C1.
What is the InChIKey of methyl (3R)-3-[(7-methoxy-1-benzofuran-2-yl)methylcarbamoyl]piperidine-1-carboxylate?
The InChIKey is UOJQNUIRXPGRLD-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-23-15-7-3-5-12-9-14(25-16(12)15)10-19-17(21)13-6-4-8-20(11-13)18(22)24-2/h3,5,7,9,13H,4,6,8,10-11H2,1-2H3,(H,19,21)/t13-/m1/s1.
What are the key properties of methyl (3R)-3-[(7-methoxy-1-benzofuran-2-yl)methylcarbamoyl]piperidine-1-carboxylate?
methyl (3R)-3-[(7-methoxy-1-benzofuran-2-yl)methylcarbamoyl]piperidine-1-carboxylate has a molecular weight of 346.38 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-[(7-methoxy-1-benzofuran-2-yl)methylcarbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 95352052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).