tert-butyl N-propan-2-yl-N-[[1-(2-propoxyacetyl)piperidin-3-yl]methyl]carbamate

C19H36N2O4 — CID 48679095

IUPACtert-butyl N-propan-2-yl-N-[[1-(2-propoxyacetyl)piperidin-3-yl]methyl]carbamate
SMILESCCCOCC(=O)N1CCCC(CN(C(=O)OC(C)(C)C)C(C)C)C1
InChIInChI=1S/C19H36N2O4/c1-7-11-24-14-17(22)20-10-8-9-16(12-20)13-21(15(2)3)18(23)25-19(4,5)6/h15-16H,7-14H2,1-6H3
InChIKeyAQGSUGQUBXVRQO-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.30
Rot. Bonds7

About tert-butyl N-propan-2-yl-N-[[1-(2-propoxyacetyl)piperidin-3-yl]methyl]carbamate

tert-butyl N-propan-2-yl-N-[[1-(2-propoxyacetyl)piperidin-3-yl]methyl]carbamate (PubChem CID 48679095) has the molecular formula C19H36N2O4 and a molecular weight of 356.51 g/mol. Its IUPAC name is tert-butyl N-propan-2-yl-N-[[1-(2-propoxyacetyl)piperidin-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-propan-2-yl-N-[[1-(2-propoxyacetyl)piperidin-3-yl]methyl]carbamate
PubChem CID48679095
Molecular FormulaC19H36N2O4
Molecular Weight356.51 g/mol
Exact Mass356.27
IUPAC Nametert-butyl N-propan-2-yl-N-[[1-(2-propoxyacetyl)piperidin-3-yl]methyl]carbamate
SMILESCCCOCC(=O)N1CCCC(CN(C(=O)OC(C)(C)C)C(C)C)C1
InChIInChI=1S/C19H36N2O4/c1-7-11-24-14-17(22)20-10-8-9-16(12-20)13-21(15(2)3)18(23)25-19(4,5)6/h15-16H,7-14H2,1-6H3
InChIKeyAQGSUGQUBXVRQO-UHFFFAOYSA-N
XLogP3.30
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-propan-2-yl-N-[[1-(2-propoxyacetyl)piperidin-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-propan-2-yl-N-[[1-(2-propoxyacetyl)piperidin-3-yl]methyl]carbamate (CID 48679095) is tert-butyl N-propan-2-yl-N-[[1-(2-propoxyacetyl)piperidin-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-propan-2-yl-N-[[1-(2-propoxyacetyl)piperidin-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-propan-2-yl-N-[[1-(2-propoxyacetyl)piperidin-3-yl]methyl]carbamate is CCCOCC(=O)N1CCCC(CN(C(=O)OC(C)(C)C)C(C)C)C1.
What is the InChIKey of tert-butyl N-propan-2-yl-N-[[1-(2-propoxyacetyl)piperidin-3-yl]methyl]carbamate?
The InChIKey is AQGSUGQUBXVRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O4/c1-7-11-24-14-17(22)20-10-8-9-16(12-20)13-21(15(2)3)18(23)25-19(4,5)6/h15-16H,7-14H2,1-6H3.
What are the key properties of tert-butyl N-propan-2-yl-N-[[1-(2-propoxyacetyl)piperidin-3-yl]methyl]carbamate?
tert-butyl N-propan-2-yl-N-[[1-(2-propoxyacetyl)piperidin-3-yl]methyl]carbamate has a molecular weight of 356.51 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-propan-2-yl-N-[[1-(2-propoxyacetyl)piperidin-3-yl]methyl]carbamate is sourced from PubChem (CID 48679095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).