[11-(pyridin-3-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]-pyrrolidin-1-ylmethanone

C20H30N4O2 — CID 97399438

IUPAC[11-(pyridin-3-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CCC2(CC1)COCCN(Cc1cccnc1)C2
InChIInChI=1S/C20H30N4O2/c25-19(23-8-1-2-9-23)24-10-5-20(6-11-24)16-22(12-13-26-17-20)15-18-4-3-7-21-14-18/h3-4,7,14H,1-2,5-6,8-13,15-17H2
InChIKeyZGXNBNLLIAFTNB-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.21
Rot. Bonds2

About [11-(pyridin-3-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]-pyrrolidin-1-ylmethanone

[11-(pyridin-3-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 97399438) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is [11-(pyridin-3-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[11-(pyridin-3-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID97399438
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name[11-(pyridin-3-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CCC2(CC1)COCCN(Cc1cccnc1)C2
InChIInChI=1S/C20H30N4O2/c25-19(23-8-1-2-9-23)24-10-5-20(6-11-24)16-22(12-13-26-17-20)15-18-4-3-7-21-14-18/h3-4,7,14H,1-2,5-6,8-13,15-17H2
InChIKeyZGXNBNLLIAFTNB-UHFFFAOYSA-N
XLogP2.21
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [11-(pyridin-3-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [11-(pyridin-3-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]-pyrrolidin-1-ylmethanone (CID 97399438) is [11-(pyridin-3-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [11-(pyridin-3-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [11-(pyridin-3-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]-pyrrolidin-1-ylmethanone is O=C(N1CCCC1)N1CCC2(CC1)COCCN(Cc1cccnc1)C2.
What is the InChIKey of [11-(pyridin-3-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is ZGXNBNLLIAFTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c25-19(23-8-1-2-9-23)24-10-5-20(6-11-24)16-22(12-13-26-17-20)15-18-4-3-7-21-14-18/h3-4,7,14H,1-2,5-6,8-13,15-17H2.
What are the key properties of [11-(pyridin-3-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]-pyrrolidin-1-ylmethanone?
[11-(pyridin-3-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 358.49 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [11-(pyridin-3-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 97399438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).