(3R)-1-[(3-methoxyphenyl)methyl]-N-[2-(5-methylfuran-2-yl)ethyl]-6-oxopiperidine-3-carboxamide

C21H26N2O4 — CID 42515969

IUPAC(3R)-1-[(3-methoxyphenyl)methyl]-N-[2-(5-methylfuran-2-yl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCOc1cccc(CN2C[C@H](C(=O)NCCc3ccc(C)o3)CCC2=O)c1
InChIInChI=1S/C21H26N2O4/c1-15-6-8-18(27-15)10-11-22-21(25)17-7-9-20(24)23(14-17)13-16-4-3-5-19(12-16)26-2/h3-6,8,12,17H,7,9-11,13-14H2,1-2H3,(H,22,25)/t17-/m1/s1
InChIKeyPIAZPTKABJFUJQ-QGZVFWFLSA-N
MW370.45 g/mol
LogP2.69
Rot. Bonds7

About (3R)-1-[(3-methoxyphenyl)methyl]-N-[2-(5-methylfuran-2-yl)ethyl]-6-oxopiperidine-3-carboxamide

(3R)-1-[(3-methoxyphenyl)methyl]-N-[2-(5-methylfuran-2-yl)ethyl]-6-oxopiperidine-3-carboxamide (PubChem CID 42515969) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is (3R)-1-[(3-methoxyphenyl)methyl]-N-[2-(5-methylfuran-2-yl)ethyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(3-methoxyphenyl)methyl]-N-[2-(5-methylfuran-2-yl)ethyl]-6-oxopiperidine-3-carboxamide
PubChem CID42515969
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name(3R)-1-[(3-methoxyphenyl)methyl]-N-[2-(5-methylfuran-2-yl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCOc1cccc(CN2C[C@H](C(=O)NCCc3ccc(C)o3)CCC2=O)c1
InChIInChI=1S/C21H26N2O4/c1-15-6-8-18(27-15)10-11-22-21(25)17-7-9-20(24)23(14-17)13-16-4-3-5-19(12-16)26-2/h3-6,8,12,17H,7,9-11,13-14H2,1-2H3,(H,22,25)/t17-/m1/s1
InChIKeyPIAZPTKABJFUJQ-QGZVFWFLSA-N
XLogP2.69
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 45187533
1-[(3-methoxyphenyl)methyl]-6-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
CID 24791595
(3R)-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 97150495
(3R)-1-[(3-methoxyphenyl)methyl]-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
CID 136748664
5-(azepane-1-carbonyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one
CID 24790814
(3R)-1-[(4-chlorophenyl)methyl]-N-[3-(4-methoxyphenyl)propyl]-6-oxopiperidine-3-carboxamide
CID 25385822
(3S)-N-(2-methoxyethyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 25453547
(3S)-1-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 9146852
(3R)-N-(2-ethoxyethyl)-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 42463392
1-benzyl-N-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 18074627
N-(2-hydroxyethyl)-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 72920179
1-[2-(3-methoxyphenyl)ethyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 113184516

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3-methoxyphenyl)methyl]-N-[2-(5-methylfuran-2-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(3-methoxyphenyl)methyl]-N-[2-(5-methylfuran-2-yl)ethyl]-6-oxopiperidine-3-carboxamide (CID 42515969) is (3R)-1-[(3-methoxyphenyl)methyl]-N-[2-(5-methylfuran-2-yl)ethyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(3-methoxyphenyl)methyl]-N-[2-(5-methylfuran-2-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(3-methoxyphenyl)methyl]-N-[2-(5-methylfuran-2-yl)ethyl]-6-oxopiperidine-3-carboxamide is COc1cccc(CN2C[C@H](C(=O)NCCc3ccc(C)o3)CCC2=O)c1.
What is the InChIKey of (3R)-1-[(3-methoxyphenyl)methyl]-N-[2-(5-methylfuran-2-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is PIAZPTKABJFUJQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-15-6-8-18(27-15)10-11-22-21(25)17-7-9-20(24)23(14-17)13-16-4-3-5-19(12-16)26-2/h3-6,8,12,17H,7,9-11,13-14H2,1-2H3,(H,22,25)/t17-/m1/s1.
What are the key properties of (3R)-1-[(3-methoxyphenyl)methyl]-N-[2-(5-methylfuran-2-yl)ethyl]-6-oxopiperidine-3-carboxamide?
(3R)-1-[(3-methoxyphenyl)methyl]-N-[2-(5-methylfuran-2-yl)ethyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3-methoxyphenyl)methyl]-N-[2-(5-methylfuran-2-yl)ethyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 42515969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).