methyl 4-[[(3R)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]amino]butanoate

C19H26N2O5 — CID 26406507

IUPACmethyl 4-[[(3R)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]amino]butanoate
SMILESCOC(=O)CCCNC(=O)[C@@H]1CCC(=O)N(Cc2ccccc2OC)C1
InChIInChI=1S/C19H26N2O5/c1-25-16-7-4-3-6-14(16)12-21-13-15(9-10-17(21)22)19(24)20-11-5-8-18(23)26-2/h3-4,6-7,15H,5,8-13H2,1-2H3,(H,20,24)/t15-/m1/s1
InChIKeyOPKFRGYCPSJVGB-OAHLLOKOSA-N
MW362.43 g/mol
LogP1.50
Rot. Bonds8

About methyl 4-[[(3R)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]amino]butanoate

methyl 4-[[(3R)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]amino]butanoate (PubChem CID 26406507) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is methyl 4-[[(3R)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[[(3R)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]amino]butanoate
PubChem CID26406507
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Namemethyl 4-[[(3R)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]amino]butanoate
SMILESCOC(=O)CCCNC(=O)[C@@H]1CCC(=O)N(Cc2ccccc2OC)C1
InChIInChI=1S/C19H26N2O5/c1-25-16-7-4-3-6-14(16)12-21-13-15(9-10-17(21)22)19(24)20-11-5-8-18(23)26-2/h3-4,6-7,15H,5,8-13H2,1-2H3,(H,20,24)/t15-/m1/s1
InChIKeyOPKFRGYCPSJVGB-OAHLLOKOSA-N
XLogP1.50
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 4-[[(3R)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]amino]butanoate with MolForge

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Related Compounds

1-[(2-methoxyphenyl)methyl]-6-oxo-N-(4-pyridin-2-ylbutyl)piperidine-3-carboxamide
CID 45220426
(3R)-N-[(2,6-difluoro-3-methylphenyl)methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 42360720
1-[(2-methoxyphenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 56703472
(3S)-N-(1H-indol-4-ylmethyl)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 26321250
1-[(2-methoxyphenyl)methyl]-N-[(1-methylbenzimidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 24793824
(3S)-1-[(2-methoxyphenyl)methyl]-6-oxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 26319411
(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)-1-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide
CID 51903346
(3R)-N-ethyl-N-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 97133455
1-[(2-fluorophenyl)methyl]-6-oxo-N-(4-pyrrolidin-1-ylbutyl)piperidine-3-carboxamide
CID 72852888
N-ethyl-N-(2-methoxyethyl)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 72866013

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(3R)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]amino]butanoate?
The IUPAC name of methyl 4-[[(3R)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]amino]butanoate (CID 26406507) is methyl 4-[[(3R)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]amino]butanoate.
What is the SMILES notation for methyl 4-[[(3R)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]amino]butanoate?
The canonical SMILES for methyl 4-[[(3R)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]amino]butanoate is COC(=O)CCCNC(=O)[C@@H]1CCC(=O)N(Cc2ccccc2OC)C1.
What is the InChIKey of methyl 4-[[(3R)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]amino]butanoate?
The InChIKey is OPKFRGYCPSJVGB-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-25-16-7-4-3-6-14(16)12-21-13-15(9-10-17(21)22)19(24)20-11-5-8-18(23)26-2/h3-4,6-7,15H,5,8-13H2,1-2H3,(H,20,24)/t15-/m1/s1.
What are the key properties of methyl 4-[[(3R)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]amino]butanoate?
methyl 4-[[(3R)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]amino]butanoate has a molecular weight of 362.43 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(3R)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]amino]butanoate is sourced from PubChem (CID 26406507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).