2-[tert-butyl(diphenyl)silyl]oxy-N-[[1-[(2,6-dichloro-4-pyridinyl)methyl]piperidin-4-yl]methyl]acetamide

C30H37Cl2N3O2Si — CID 171498895

IUPAC2-[tert-butyl(diphenyl)silyl]oxy-N-[[1-[(2,6-dichloro-4-pyridinyl)methyl]piperidin-4-yl]methyl]acetamide
SMILESCC(C)(C)[Si](OCC(=O)NCC1CCN(Cc2cc(Cl)nc(Cl)c2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H37Cl2N3O2Si/c1-30(2,3)38(25-10-6-4-7-11-25,26-12-8-5-9-13-26)37-22-29(36)33-20-23-14-16-35(17-15-23)21-24-18-27(31)34-28(32)19-24/h4-13,18-19,23H,14-17,20-22H2,1-3H3,(H,33,36)
InChIKeyVWEUNJAIKRRNRT-UHFFFAOYSA-N
MW570.64 g/mol
LogP5.29
Rot. Bonds9

About 2-[tert-butyl(diphenyl)silyl]oxy-N-[[1-[(2,6-dichloro-4-pyridinyl)methyl]piperidin-4-yl]methyl]acetamide

2-[tert-butyl(diphenyl)silyl]oxy-N-[[1-[(2,6-dichloro-4-pyridinyl)methyl]piperidin-4-yl]methyl]acetamide (PubChem CID 171498895) has the molecular formula C30H37Cl2N3O2Si and a molecular weight of 570.64 g/mol. Its IUPAC name is 2-[tert-butyl(diphenyl)silyl]oxy-N-[[1-[(2,6-dichloro-4-pyridinyl)methyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[tert-butyl(diphenyl)silyl]oxy-N-[[1-[(2,6-dichloro-4-pyridinyl)methyl]piperidin-4-yl]methyl]acetamide
PubChem CID171498895
Molecular FormulaC30H37Cl2N3O2Si
Molecular Weight570.64 g/mol
Exact Mass569.20
IUPAC Name2-[tert-butyl(diphenyl)silyl]oxy-N-[[1-[(2,6-dichloro-4-pyridinyl)methyl]piperidin-4-yl]methyl]acetamide
SMILESCC(C)(C)[Si](OCC(=O)NCC1CCN(Cc2cc(Cl)nc(Cl)c2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H37Cl2N3O2Si/c1-30(2,3)38(25-10-6-4-7-11-25,26-12-8-5-9-13-26)37-22-29(36)33-20-23-14-16-35(17-15-23)21-24-18-27(31)34-28(32)19-24/h4-13,18-19,23H,14-17,20-22H2,1-3H3,(H,33,36)
InChIKeyVWEUNJAIKRRNRT-UHFFFAOYSA-N
XLogP5.29
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.64
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 16895737
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 16895674
3-phenyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propanamide
CID 16895855
(2E)-N-[(1-benzylpiperidin-4-yl)methyl]-2-hydroxyiminoacetamide;hydrochloride
CID 73335428
N-[(1-benzylpyrrolidin-3-yl)methyl]propanamide
CID 56990100
2-chloro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895962
1-[(1-benzylpiperidin-4-yl)methyl]-3-(3-methoxypropyl)urea
CID 47874249
tert-butyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 156837021
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]acetamide
CID 66565184
2-(4-benzylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide
CID 31127901
2-amino-N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]acetamide
CID 96553009
2-amino-N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]acetamide
CID 96553008

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(diphenyl)silyl]oxy-N-[[1-[(2,6-dichloro-4-pyridinyl)methyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-[tert-butyl(diphenyl)silyl]oxy-N-[[1-[(2,6-dichloro-4-pyridinyl)methyl]piperidin-4-yl]methyl]acetamide (CID 171498895) is 2-[tert-butyl(diphenyl)silyl]oxy-N-[[1-[(2,6-dichloro-4-pyridinyl)methyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-[tert-butyl(diphenyl)silyl]oxy-N-[[1-[(2,6-dichloro-4-pyridinyl)methyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-[tert-butyl(diphenyl)silyl]oxy-N-[[1-[(2,6-dichloro-4-pyridinyl)methyl]piperidin-4-yl]methyl]acetamide is CC(C)(C)[Si](OCC(=O)NCC1CCN(Cc2cc(Cl)nc(Cl)c2)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[tert-butyl(diphenyl)silyl]oxy-N-[[1-[(2,6-dichloro-4-pyridinyl)methyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is VWEUNJAIKRRNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37Cl2N3O2Si/c1-30(2,3)38(25-10-6-4-7-11-25,26-12-8-5-9-13-26)37-22-29(36)33-20-23-14-16-35(17-15-23)21-24-18-27(31)34-28(32)19-24/h4-13,18-19,23H,14-17,20-22H2,1-3H3,(H,33,36).
What are the key properties of 2-[tert-butyl(diphenyl)silyl]oxy-N-[[1-[(2,6-dichloro-4-pyridinyl)methyl]piperidin-4-yl]methyl]acetamide?
2-[tert-butyl(diphenyl)silyl]oxy-N-[[1-[(2,6-dichloro-4-pyridinyl)methyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 570.64 g/mol, XLogP of 5.29, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(diphenyl)silyl]oxy-N-[[1-[(2,6-dichloro-4-pyridinyl)methyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 171498895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).