butyl 4-[[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-oxopropan-2-yl]carbamoyloxy]piperidine-1-carboxylate

C21H40N2O7Si — CID 175991750

IUPACbutyl 4-[[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-oxopropan-2-yl]carbamoyloxy]piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(OC(=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)OC)CC1
InChIInChI=1S/C21H40N2O7Si/c1-8-9-14-28-20(26)23-12-10-16(11-13-23)30-19(25)22-17(18(24)27-5)15-29-31(6,7)21(2,3)4/h16-17H,8-15H2,1-7H3,(H,22,25)/t17-/m0/s1
InChIKeyBHVITRLDAUWLGK-KRWDZBQOSA-N
MW460.64 g/mol
LogP3.68
Rot. Bonds9

About butyl 4-[[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-oxopropan-2-yl]carbamoyloxy]piperidine-1-carboxylate

butyl 4-[[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-oxopropan-2-yl]carbamoyloxy]piperidine-1-carboxylate (PubChem CID 175991750) has the molecular formula C21H40N2O7Si and a molecular weight of 460.64 g/mol. Its IUPAC name is butyl 4-[[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-oxopropan-2-yl]carbamoyloxy]piperidine-1-carboxylate.

Molecular Properties

Compound Namebutyl 4-[[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-oxopropan-2-yl]carbamoyloxy]piperidine-1-carboxylate
PubChem CID175991750
Molecular FormulaC21H40N2O7Si
Molecular Weight460.64 g/mol
Exact Mass460.26
IUPAC Namebutyl 4-[[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-oxopropan-2-yl]carbamoyloxy]piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(OC(=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)OC)CC1
InChIInChI=1S/C21H40N2O7Si/c1-8-9-14-28-20(26)23-12-10-16(11-13-23)30-19(25)22-17(18(24)27-5)15-29-31(6,7)21(2,3)4/h16-17H,8-15H2,1-7H3,(H,22,25)/t17-/m0/s1
InChIKeyBHVITRLDAUWLGK-KRWDZBQOSA-N
XLogP3.68
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.64
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze butyl 4-[[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-oxopropan-2-yl]carbamoyloxy]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxononan-2-yl]carbamate
CID 11523916
methyl 3-butoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 134525885
butyl 4-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate
CID 108563148
butyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 151751894
butyl aziridine-1-carboxylate
CID 12641
butyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 175819406
butyl 4-bromopiperidine-1-carboxylate
CID 21219163
butyl 4-[(2R)-3-diethoxyphosphoryl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperazine-1-carboxylate
CID 87120286
1-O-(1-butoxycarbonylpiperidin-4-yl) 5-O-cyclohexyl 4-ethyl-2,2,4-trimethylpentanedioate
CID 129189349
butyl 4-(4-bromophenoxy)piperidine-1-carboxylate
CID 151208440
butyl 4-[(1-hydroxycyclopropyl)methyl]piperidine-1-carboxylate
CID 70848394
butyl 4-(3-iodopropyl)piperidine-1-carboxylate
CID 151178027

Frequently Asked Questions

What is the IUPAC name of butyl 4-[[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-oxopropan-2-yl]carbamoyloxy]piperidine-1-carboxylate?
The IUPAC name of butyl 4-[[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-oxopropan-2-yl]carbamoyloxy]piperidine-1-carboxylate (CID 175991750) is butyl 4-[[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-oxopropan-2-yl]carbamoyloxy]piperidine-1-carboxylate.
What is the SMILES notation for butyl 4-[[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-oxopropan-2-yl]carbamoyloxy]piperidine-1-carboxylate?
The canonical SMILES for butyl 4-[[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-oxopropan-2-yl]carbamoyloxy]piperidine-1-carboxylate is CCCCOC(=O)N1CCC(OC(=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)OC)CC1.
What is the InChIKey of butyl 4-[[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-oxopropan-2-yl]carbamoyloxy]piperidine-1-carboxylate?
The InChIKey is BHVITRLDAUWLGK-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H40N2O7Si/c1-8-9-14-28-20(26)23-12-10-16(11-13-23)30-19(25)22-17(18(24)27-5)15-29-31(6,7)21(2,3)4/h16-17H,8-15H2,1-7H3,(H,22,25)/t17-/m0/s1.
What are the key properties of butyl 4-[[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-oxopropan-2-yl]carbamoyloxy]piperidine-1-carboxylate?
butyl 4-[[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-oxopropan-2-yl]carbamoyloxy]piperidine-1-carboxylate has a molecular weight of 460.64 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-oxopropan-2-yl]carbamoyloxy]piperidine-1-carboxylate is sourced from PubChem (CID 175991750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).