tert-butyl N-[2-methoxy-5-(8-oxa-2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]carbamate

C19H29N3O4 — CID 146200706

IUPACtert-butyl N-[2-methoxy-5-(8-oxa-2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]carbamate
SMILESCOc1ncc(N2CCC3(CCOCC3)C2)cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C19H29N3O4/c1-18(2,3)26-17(23)21-15-11-14(12-20-16(15)24-4)22-8-5-19(13-22)6-9-25-10-7-19/h11-12H,5-10,13H2,1-4H3,(H,21,23)
InChIKeyHUDCETVXNBXRIR-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.44
Rot. Bonds3

About tert-butyl N-[2-methoxy-5-(8-oxa-2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]carbamate

tert-butyl N-[2-methoxy-5-(8-oxa-2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]carbamate (PubChem CID 146200706) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is tert-butyl N-[2-methoxy-5-(8-oxa-2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-methoxy-5-(8-oxa-2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]carbamate
PubChem CID146200706
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Nametert-butyl N-[2-methoxy-5-(8-oxa-2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]carbamate
SMILESCOc1ncc(N2CCC3(CCOCC3)C2)cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C19H29N3O4/c1-18(2,3)26-17(23)21-15-11-14(12-20-16(15)24-4)22-8-5-19(13-22)6-9-25-10-7-19/h11-12H,5-10,13H2,1-4H3,(H,21,23)
InChIKeyHUDCETVXNBXRIR-UHFFFAOYSA-N
XLogP3.44
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-methoxy-5-(8-oxa-2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[2-methoxy-5-(8-oxa-2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]carbamate (CID 146200706) is tert-butyl N-[2-methoxy-5-(8-oxa-2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-methoxy-5-(8-oxa-2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[2-methoxy-5-(8-oxa-2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]carbamate is COc1ncc(N2CCC3(CCOCC3)C2)cc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-methoxy-5-(8-oxa-2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]carbamate?
The InChIKey is HUDCETVXNBXRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-18(2,3)26-17(23)21-15-11-14(12-20-16(15)24-4)22-8-5-19(13-22)6-9-25-10-7-19/h11-12H,5-10,13H2,1-4H3,(H,21,23).
What are the key properties of tert-butyl N-[2-methoxy-5-(8-oxa-2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]carbamate?
tert-butyl N-[2-methoxy-5-(8-oxa-2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]carbamate has a molecular weight of 363.46 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-methoxy-5-(8-oxa-2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]carbamate is sourced from PubChem (CID 146200706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).