[7-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl] carbamate

C21H34N2O4Si — CID 175354798

IUPAC[7-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl] carbamate
SMILESCC(C)(C)[Si](C)(C)OC1CCN(c2ccc3c(c2)OCC(OC(N)=O)C3)CC1
InChIInChI=1S/C21H34N2O4Si/c1-21(2,3)28(4,5)27-17-8-10-23(11-9-17)16-7-6-15-12-18(26-20(22)24)14-25-19(15)13-16/h6-7,13,17-18H,8-12,14H2,1-5H3,(H2,22,24)
InChIKeyHCINMIVJKOJQKM-UHFFFAOYSA-N
MW406.60 g/mol
LogP4.08
Rot. Bonds4

About [7-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl] carbamate

[7-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl] carbamate (PubChem CID 175354798) has the molecular formula C21H34N2O4Si and a molecular weight of 406.60 g/mol. Its IUPAC name is [7-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl] carbamate.

Molecular Properties

Compound Name[7-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl] carbamate
PubChem CID175354798
Molecular FormulaC21H34N2O4Si
Molecular Weight406.60 g/mol
Exact Mass406.23
IUPAC Name[7-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl] carbamate
SMILESCC(C)(C)[Si](C)(C)OC1CCN(c2ccc3c(c2)OCC(OC(N)=O)C3)CC1
InChIInChI=1S/C21H34N2O4Si/c1-21(2,3)28(4,5)27-17-8-10-23(11-9-17)16-7-6-15-12-18(26-20(22)24)14-25-19(15)13-16/h6-7,13,17-18H,8-12,14H2,1-5H3,(H2,22,24)
InChIKeyHCINMIVJKOJQKM-UHFFFAOYSA-N
XLogP4.08
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.60
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [7-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl] carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-2-methoxybenzoate
CID 140704130
5-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3-methylpyridine-2-carboxylic acid
CID 169081409
[1-(2-amino-4-pyridinyl)piperidin-4-yl] carbamate
CID 175111537
tert-butyl-dimethyl-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidin-4-yl]oxysilane
CID 163388633
[1-(4-bromophenyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
CID 67148861
6-[3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]pyridazin-3-amine
CID 140876627
[1-[3-(4-formylpiperidin-1-yl)phenyl]piperidin-4-yl] carbamate
CID 175467980
[1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]pyrrolidin-3-yl] carbamate
CID 175147723
tert-butyl 4-[(3S)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]piperazine-1-carboxylate
CID 137480438
[1-(6-nitro-3-pyridinyl)piperidin-4-yl] carbamate
CID 139390117
(6-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl) carbamate
CID 175044380
6-[3-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]pyridazin-3-amine
CID 140876676

Frequently Asked Questions

What is the IUPAC name of [7-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl] carbamate?
The IUPAC name of [7-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl] carbamate (CID 175354798) is [7-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl] carbamate.
What is the SMILES notation for [7-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl] carbamate?
The canonical SMILES for [7-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl] carbamate is CC(C)(C)[Si](C)(C)OC1CCN(c2ccc3c(c2)OCC(OC(N)=O)C3)CC1.
What is the InChIKey of [7-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl] carbamate?
The InChIKey is HCINMIVJKOJQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O4Si/c1-21(2,3)28(4,5)27-17-8-10-23(11-9-17)16-7-6-15-12-18(26-20(22)24)14-25-19(15)13-16/h6-7,13,17-18H,8-12,14H2,1-5H3,(H2,22,24).
What are the key properties of [7-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl] carbamate?
[7-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl] carbamate has a molecular weight of 406.60 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl] carbamate is sourced from PubChem (CID 175354798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).