N-[1-[[1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide

C34H53N3O3Si — CID 59515954

IUPACN-[1-[[1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide
SMILESCCC(C)C(NC(=O)C1CCCCN1C)C(=O)NC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)C
InChIInChI=1S/C34H53N3O3Si/c1-9-26(4)31(36-32(38)30-22-16-17-23-37(30)8)33(39)35-29(25(2)3)24-40-41(34(5,6)7,27-18-12-10-13-19-27)28-20-14-11-15-21-28/h10-15,18-21,25-26,29-31H,9,16-17,22-24H2,1-8H3,(H,35,39)(H,36,38)
InChIKeyFXIXBERLZDERSZ-UHFFFAOYSA-N
MW579.90 g/mol
LogP4.72
Rot. Bonds12

About N-[1-[[1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide

N-[1-[[1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide (PubChem CID 59515954) has the molecular formula C34H53N3O3Si and a molecular weight of 579.90 g/mol. Its IUPAC name is N-[1-[[1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide
PubChem CID59515954
Molecular FormulaC34H53N3O3Si
Molecular Weight579.90 g/mol
Exact Mass579.39
IUPAC NameN-[1-[[1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide
SMILESCCC(C)C(NC(=O)C1CCCCN1C)C(=O)NC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)C
InChIInChI=1S/C34H53N3O3Si/c1-9-26(4)31(36-32(38)30-22-16-17-23-37(30)8)33(39)35-29(25(2)3)24-40-41(34(5,6)7,27-18-12-10-13-19-27)28-20-14-11-15-21-28/h10-15,18-21,25-26,29-31H,9,16-17,22-24H2,1-8H3,(H,35,39)(H,36,38)
InChIKeyFXIXBERLZDERSZ-UHFFFAOYSA-N
XLogP4.72
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.90
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide?
The IUPAC name of N-[1-[[1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide (CID 59515954) is N-[1-[[1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[1-[[1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[1-[[1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide is CCC(C)C(NC(=O)C1CCCCN1C)C(=O)NC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)C.
What is the InChIKey of N-[1-[[1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide?
The InChIKey is FXIXBERLZDERSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H53N3O3Si/c1-9-26(4)31(36-32(38)30-22-16-17-23-37(30)8)33(39)35-29(25(2)3)24-40-41(34(5,6)7,27-18-12-10-13-19-27)28-20-14-11-15-21-28/h10-15,18-21,25-26,29-31H,9,16-17,22-24H2,1-8H3,(H,35,39)(H,36,38).
What are the key properties of N-[1-[[1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide?
N-[1-[[1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide has a molecular weight of 579.90 g/mol, XLogP of 4.72, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide is sourced from PubChem (CID 59515954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).