ethyl 2-[[(3S)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]-methylamino]acetate

C19H26N2O5 — CID 42402554

IUPACethyl 2-[[(3S)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]-methylamino]acetate
SMILESCCOC(=O)CN(C)C(=O)[C@H]1CCC(=O)N(Cc2ccccc2OC)C1
InChIInChI=1S/C19H26N2O5/c1-4-26-18(23)13-20(2)19(24)15-9-10-17(22)21(12-15)11-14-7-5-6-8-16(14)25-3/h5-8,15H,4,9-13H2,1-3H3/t15-/m0/s1
InChIKeyYQYWHDPTXZFWQR-HNNXBMFYSA-N
MW362.43 g/mol
LogP1.46
Rot. Bonds7

About ethyl 2-[[(3S)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]-methylamino]acetate

ethyl 2-[[(3S)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]-methylamino]acetate (PubChem CID 42402554) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is ethyl 2-[[(3S)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(3S)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]-methylamino]acetate
PubChem CID42402554
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Nameethyl 2-[[(3S)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]-methylamino]acetate
SMILESCCOC(=O)CN(C)C(=O)[C@H]1CCC(=O)N(Cc2ccccc2OC)C1
InChIInChI=1S/C19H26N2O5/c1-4-26-18(23)13-20(2)19(24)15-9-10-17(22)21(12-15)11-14-7-5-6-8-16(14)25-3/h5-8,15H,4,9-13H2,1-3H3/t15-/m0/s1
InChIKeyYQYWHDPTXZFWQR-HNNXBMFYSA-N
XLogP1.46
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[(3S)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]-methylamino]acetate with MolForge

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Related Compounds

(3R)-N-ethyl-N-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 97133455
(3R)-1-[(2-methoxyphenyl)methyl]-N-methyl-6-oxo-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 26404499
N-ethyl-N-(2-methoxyethyl)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 72866013
(5S)-1-[(2-methoxyphenyl)methyl]-5-(4-methoxypiperidine-1-carbonyl)piperidin-2-one
CID 42195316
ethyl 2-[(2-ethoxy-2-oxoethyl)-[1-[(2-methoxyphenyl)methyl]aziridine-2-carbonyl]amino]acetate
CID 74227280
methyl 4-[[(3R)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]amino]butanoate
CID 26406507
1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 75532056
ethyl 2-[[1-[(2-chlorophenyl)methyl]-7-oxoazepan-4-yl]-methylamino]acetate
CID 126465260
1-[(2-methoxyphenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 56703472
(3S)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-[(2-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 124879287
(3R)-N-[(2,6-difluoro-3-methylphenyl)methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 42360720
(3S)-N-(1H-indol-4-ylmethyl)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 26321250

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(3S)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]-methylamino]acetate?
The IUPAC name of ethyl 2-[[(3S)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]-methylamino]acetate (CID 42402554) is ethyl 2-[[(3S)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]-methylamino]acetate.
What is the SMILES notation for ethyl 2-[[(3S)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]-methylamino]acetate?
The canonical SMILES for ethyl 2-[[(3S)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]-methylamino]acetate is CCOC(=O)CN(C)C(=O)[C@H]1CCC(=O)N(Cc2ccccc2OC)C1.
What is the InChIKey of ethyl 2-[[(3S)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]-methylamino]acetate?
The InChIKey is YQYWHDPTXZFWQR-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-4-26-18(23)13-20(2)19(24)15-9-10-17(22)21(12-15)11-14-7-5-6-8-16(14)25-3/h5-8,15H,4,9-13H2,1-3H3/t15-/m0/s1.
What are the key properties of ethyl 2-[[(3S)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]-methylamino]acetate?
ethyl 2-[[(3S)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]-methylamino]acetate has a molecular weight of 362.43 g/mol, XLogP of 1.46, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(3S)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]-methylamino]acetate is sourced from PubChem (CID 42402554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).