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

C20H24N2O3S — CID 56703472

IUPAC1-[(2-methoxyphenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCOc1ccccc1CN1CC(C(=O)NCc2ccc(C)s2)CCC1=O
InChIInChI=1S/C20H24N2O3S/c1-14-7-9-17(26-14)11-21-20(24)16-8-10-19(23)22(13-16)12-15-5-3-4-6-18(15)25-2/h3-7,9,16H,8,10-13H2,1-2H3,(H,21,24)
InChIKeyQWZYLMXOSDJZIA-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.12
Rot. Bonds6

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

1-[(2-methoxyphenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 56703472) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID56703472
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name1-[(2-methoxyphenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCOc1ccccc1CN1CC(C(=O)NCc2ccc(C)s2)CCC1=O
InChIInChI=1S/C20H24N2O3S/c1-14-7-9-17(26-14)11-21-20(24)16-8-10-19(23)22(13-16)12-15-5-3-4-6-18(15)25-2/h3-7,9,16H,8,10-13H2,1-2H3,(H,21,24)
InChIKeyQWZYLMXOSDJZIA-UHFFFAOYSA-N
XLogP3.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[(2,6-difluoro-3-methylphenyl)methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 42360720
N-[(5-methylthiophen-2-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide
CID 24790154
(3S)-N-(1H-indol-4-ylmethyl)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 26321250
methyl 4-[[(3R)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]amino]butanoate
CID 26406507
(3S)-1-[(2-methoxyphenyl)methyl]-6-oxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 26319411
1-[(2-methoxyphenyl)methyl]-N-[(1-methylbenzimidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 24793824
1-[(2-methoxyphenyl)methyl]-6-oxo-N-(4-pyridin-2-ylbutyl)piperidine-3-carboxamide
CID 45220426
1-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 45195394
(5S)-1-[(2-methoxyphenyl)methyl]-5-(4-methoxypiperidine-1-carbonyl)piperidin-2-one
CID 42195316
ethyl 2-[[(3S)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]-methylamino]acetate
CID 42402554
(3R)-N-ethyl-N-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 97133455
N-(3,5-dimethylphenyl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46172093

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide (CID 56703472) is 1-[(2-methoxyphenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide is COc1ccccc1CN1CC(C(=O)NCc2ccc(C)s2)CCC1=O.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is QWZYLMXOSDJZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-14-7-9-17(26-14)11-21-20(24)16-8-10-19(23)22(13-16)12-15-5-3-4-6-18(15)25-2/h3-7,9,16H,8,10-13H2,1-2H3,(H,21,24).
What are the key properties of 1-[(2-methoxyphenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
1-[(2-methoxyphenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 56703472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).