tert-butyl N-[1-(4-morpholin-4-ylbutanoyl)piperidin-4-yl]carbamate

C18H33N3O4 — CID 68855889

IUPACtert-butyl N-[1-(4-morpholin-4-ylbutanoyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)CCCN2CCOCC2)CC1
InChIInChI=1S/C18H33N3O4/c1-18(2,3)25-17(23)19-15-6-9-21(10-7-15)16(22)5-4-8-20-11-13-24-14-12-20/h15H,4-14H2,1-3H3,(H,19,23)
InChIKeyFQCIQNWSNNSQBG-UHFFFAOYSA-N
MW355.48 g/mol
LogP1.61
Rot. Bonds5

About tert-butyl N-[1-(4-morpholin-4-ylbutanoyl)piperidin-4-yl]carbamate

tert-butyl N-[1-(4-morpholin-4-ylbutanoyl)piperidin-4-yl]carbamate (PubChem CID 68855889) has the molecular formula C18H33N3O4 and a molecular weight of 355.48 g/mol. Its IUPAC name is tert-butyl N-[1-(4-morpholin-4-ylbutanoyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-morpholin-4-ylbutanoyl)piperidin-4-yl]carbamate
PubChem CID68855889
Molecular FormulaC18H33N3O4
Molecular Weight355.48 g/mol
Exact Mass355.25
IUPAC Nametert-butyl N-[1-(4-morpholin-4-ylbutanoyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)CCCN2CCOCC2)CC1
InChIInChI=1S/C18H33N3O4/c1-18(2,3)25-17(23)19-15-6-9-21(10-7-15)16(22)5-4-8-20-11-13-24-14-12-20/h15H,4-14H2,1-3H3,(H,19,23)
InChIKeyFQCIQNWSNNSQBG-UHFFFAOYSA-N
XLogP1.61
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-morpholin-4-ylbutanoyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(4-morpholin-4-ylbutanoyl)piperidin-4-yl]carbamate (CID 68855889) is tert-butyl N-[1-(4-morpholin-4-ylbutanoyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4-morpholin-4-ylbutanoyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4-morpholin-4-ylbutanoyl)piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(C(=O)CCCN2CCOCC2)CC1.
What is the InChIKey of tert-butyl N-[1-(4-morpholin-4-ylbutanoyl)piperidin-4-yl]carbamate?
The InChIKey is FQCIQNWSNNSQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O4/c1-18(2,3)25-17(23)19-15-6-9-21(10-7-15)16(22)5-4-8-20-11-13-24-14-12-20/h15H,4-14H2,1-3H3,(H,19,23).
What are the key properties of tert-butyl N-[1-(4-morpholin-4-ylbutanoyl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(4-morpholin-4-ylbutanoyl)piperidin-4-yl]carbamate has a molecular weight of 355.48 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(4-morpholin-4-ylbutanoyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 68855889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).