(9-amino-8-oxo-10-phenyldecanoyl)oxymethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate

C32H42N2O7 — CID 161243138

IUPAC(9-amino-8-oxo-10-phenyldecanoyl)oxymethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate
SMILESCOC(=O)C(c1ccccc1)C1CCCCN1C(=O)OCOC(=O)CCCCCCC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C32H42N2O7/c1-39-31(37)30(25-16-8-5-9-17-25)27-18-12-13-21-34(27)32(38)41-23-40-29(36)20-11-3-2-10-19-28(35)26(33)22-24-14-6-4-7-15-24/h4-9,14-17,26-27,30H,2-3,10-13,18-23,33H2,1H3
InChIKeyVAGTZVDKTBHMND-UHFFFAOYSA-N
MW566.70 g/mol
LogP4.91
Rot. Bonds15

About (9-amino-8-oxo-10-phenyldecanoyl)oxymethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate

(9-amino-8-oxo-10-phenyldecanoyl)oxymethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate (PubChem CID 161243138) has the molecular formula C32H42N2O7 and a molecular weight of 566.70 g/mol. Its IUPAC name is (9-amino-8-oxo-10-phenyldecanoyl)oxymethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Name(9-amino-8-oxo-10-phenyldecanoyl)oxymethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate
PubChem CID161243138
Molecular FormulaC32H42N2O7
Molecular Weight566.70 g/mol
Exact Mass566.30
IUPAC Name(9-amino-8-oxo-10-phenyldecanoyl)oxymethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate
SMILESCOC(=O)C(c1ccccc1)C1CCCCN1C(=O)OCOC(=O)CCCCCCC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C32H42N2O7/c1-39-31(37)30(25-16-8-5-9-17-25)27-18-12-13-21-34(27)32(38)41-23-40-29(36)20-11-3-2-10-19-28(35)26(33)22-24-14-6-4-7-15-24/h4-9,14-17,26-27,30H,2-3,10-13,18-23,33H2,1H3
InChIKeyVAGTZVDKTBHMND-UHFFFAOYSA-N
XLogP4.91
TPSA125.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.70
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (9-amino-8-oxo-10-phenyldecanoyl)oxymethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate with MolForge

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Related Compounds

phosphonooxymethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate
CID 71244658
2-acetamidoethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate
CID 90368050
propan-2-one;pyridin-1-ium-1-ylmethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate
CID 158901829
2-(prop-1-en-2-ylamino)ethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate
CID 89400071
tert-butyl (2S)-2-[(1S)-2-methoxy-2-oxo-1-phenylethyl]piperidine-1-carboxylate
CID 11067588
2-[1-(chloromethoxycarbonyl)piperidin-2-yl]-2-phenylacetic acid
CID 178113845
[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl] 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate
CID 130215972
methyl (2R)-2-phenyl-2-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]acetate
CID 52943482
methyl 2-(1-tert-butylpiperidin-2-yl)-2-phenylacetate
CID 59825361
2-[(2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]-N-cycloheptyl-2-hydroxyacetamide
CID 10596394
2-[(2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]-N-cyclopropyl-2-hydroxyacetamide
CID 10640260
cyclooctyl (2S)-2-amino-3-phenylpropanoate
CID 155077382

Frequently Asked Questions

What is the IUPAC name of (9-amino-8-oxo-10-phenyldecanoyl)oxymethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate?
The IUPAC name of (9-amino-8-oxo-10-phenyldecanoyl)oxymethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate (CID 161243138) is (9-amino-8-oxo-10-phenyldecanoyl)oxymethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate.
What is the SMILES notation for (9-amino-8-oxo-10-phenyldecanoyl)oxymethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate?
The canonical SMILES for (9-amino-8-oxo-10-phenyldecanoyl)oxymethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate is COC(=O)C(c1ccccc1)C1CCCCN1C(=O)OCOC(=O)CCCCCCC(=O)C(N)Cc1ccccc1.
What is the InChIKey of (9-amino-8-oxo-10-phenyldecanoyl)oxymethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate?
The InChIKey is VAGTZVDKTBHMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N2O7/c1-39-31(37)30(25-16-8-5-9-17-25)27-18-12-13-21-34(27)32(38)41-23-40-29(36)20-11-3-2-10-19-28(35)26(33)22-24-14-6-4-7-15-24/h4-9,14-17,26-27,30H,2-3,10-13,18-23,33H2,1H3.
What are the key properties of (9-amino-8-oxo-10-phenyldecanoyl)oxymethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate?
(9-amino-8-oxo-10-phenyldecanoyl)oxymethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate has a molecular weight of 566.70 g/mol, XLogP of 4.91, 15 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (9-amino-8-oxo-10-phenyldecanoyl)oxymethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate is sourced from PubChem (CID 161243138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).