tert-butyl 4-acetyloxy-3-[5-(methoxymethoxy)pentan-2-yl]piperidine-1-carboxylate

C19H35NO6 — CID 70008509

IUPACtert-butyl 4-acetyloxy-3-[5-(methoxymethoxy)pentan-2-yl]piperidine-1-carboxylate
SMILESCOCOCCCC(C)C1CN(C(=O)OC(C)(C)C)CCC1OC(C)=O
InChIInChI=1S/C19H35NO6/c1-14(8-7-11-24-13-23-6)16-12-20(18(22)26-19(3,4)5)10-9-17(16)25-15(2)21/h14,16-17H,7-13H2,1-6H3
InChIKeyUZZKJLYWKIUTSW-UHFFFAOYSA-N
MW373.49 g/mol
LogP3.21
Rot. Bonds8

About tert-butyl 4-acetyloxy-3-[5-(methoxymethoxy)pentan-2-yl]piperidine-1-carboxylate

tert-butyl 4-acetyloxy-3-[5-(methoxymethoxy)pentan-2-yl]piperidine-1-carboxylate (PubChem CID 70008509) has the molecular formula C19H35NO6 and a molecular weight of 373.49 g/mol. Its IUPAC name is tert-butyl 4-acetyloxy-3-[5-(methoxymethoxy)pentan-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-acetyloxy-3-[5-(methoxymethoxy)pentan-2-yl]piperidine-1-carboxylate
PubChem CID70008509
Molecular FormulaC19H35NO6
Molecular Weight373.49 g/mol
Exact Mass373.25
IUPAC Nametert-butyl 4-acetyloxy-3-[5-(methoxymethoxy)pentan-2-yl]piperidine-1-carboxylate
SMILESCOCOCCCC(C)C1CN(C(=O)OC(C)(C)C)CCC1OC(C)=O
InChIInChI=1S/C19H35NO6/c1-14(8-7-11-24-13-23-6)16-12-20(18(22)26-19(3,4)5)10-9-17(16)25-15(2)21/h14,16-17H,7-13H2,1-6H3
InChIKeyUZZKJLYWKIUTSW-UHFFFAOYSA-N
XLogP3.21
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.49
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

acetyl chloride;tert-butyl 4-acetyloxy-3-(1-acetyloxypent-4-ynyl)piperidine-1-carboxylate
CID 159160322
[3-[1-iodo-5-(methoxymethoxy)pentan-2-yl]-1-methylpiperidin-4-yl] acetate
CID 70164485
tert-butyl (3R)-3-acetyloxypyrrolidine-1-carboxylate
CID 13466617
tert-butyl (3S,4R)-4-hydroxy-3-propan-2-ylpiperidine-1-carboxylate
CID 155905155
tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate
CID 59070240
tert-butyl (3S)-3-(methoxymethyl)pyrrolidine-1-carboxylate
CID 86332594
tert-butyl (3S,4R)-4-formyl-3-(methoxymethoxy)piperidine-1-carboxylate
CID 86657808
tert-butyl (4R)-4-(1-iodopropan-2-yl)-3-methylpiperidine-1-carboxylate
CID 171807582
tert-butyl 3-(1-hydrazinyl-4-methoxybutyl)pyrrolidine-1-carboxylate
CID 107093261
tert-butyl (3R)-3-(2-oxopropyl)pyrrolidine-1-carboxylate
CID 130861472
tert-butyl 3-(1-aminopropan-2-yl)pyrrolidine-1-carboxylate
CID 82391180
tert-butyl (3S)-3-propan-2-ylpyrrolidine-1-carboxylate
CID 139452592

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-acetyloxy-3-[5-(methoxymethoxy)pentan-2-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-acetyloxy-3-[5-(methoxymethoxy)pentan-2-yl]piperidine-1-carboxylate (CID 70008509) is tert-butyl 4-acetyloxy-3-[5-(methoxymethoxy)pentan-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-acetyloxy-3-[5-(methoxymethoxy)pentan-2-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-acetyloxy-3-[5-(methoxymethoxy)pentan-2-yl]piperidine-1-carboxylate is COCOCCCC(C)C1CN(C(=O)OC(C)(C)C)CCC1OC(C)=O.
What is the InChIKey of tert-butyl 4-acetyloxy-3-[5-(methoxymethoxy)pentan-2-yl]piperidine-1-carboxylate?
The InChIKey is UZZKJLYWKIUTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO6/c1-14(8-7-11-24-13-23-6)16-12-20(18(22)26-19(3,4)5)10-9-17(16)25-15(2)21/h14,16-17H,7-13H2,1-6H3.
What are the key properties of tert-butyl 4-acetyloxy-3-[5-(methoxymethoxy)pentan-2-yl]piperidine-1-carboxylate?
tert-butyl 4-acetyloxy-3-[5-(methoxymethoxy)pentan-2-yl]piperidine-1-carboxylate has a molecular weight of 373.49 g/mol, XLogP of 3.21, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-acetyloxy-3-[5-(methoxymethoxy)pentan-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 70008509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).