cyclopent-3-en-1-yl-[(6R)-8-(pyridin-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone

C20H27N3O3 — CID 97398414

IUPACcyclopent-3-en-1-yl-[(6R)-8-(pyridin-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
SMILESO=C(C1CC=CC1)N1CCO[C@@]2(COCCN(Cc3cccnc3)C2)C1
InChIInChI=1S/C20H27N3O3/c24-19(18-5-1-2-6-18)23-9-11-26-20(15-23)14-22(8-10-25-16-20)13-17-4-3-7-21-12-17/h1-4,7,12,18H,5-6,8-11,13-16H2/t20-/m1/s1
InChIKeyKPCDTHWMZCLKNX-HXUWFJFHSA-N
MW357.45 g/mol
LogP1.48
Rot. Bonds3

About cyclopent-3-en-1-yl-[(6R)-8-(pyridin-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone

cyclopent-3-en-1-yl-[(6R)-8-(pyridin-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone (PubChem CID 97398414) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is cyclopent-3-en-1-yl-[(6R)-8-(pyridin-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone.

Molecular Properties

Compound Namecyclopent-3-en-1-yl-[(6R)-8-(pyridin-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
PubChem CID97398414
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Namecyclopent-3-en-1-yl-[(6R)-8-(pyridin-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
SMILESO=C(C1CC=CC1)N1CCO[C@@]2(COCCN(Cc3cccnc3)C2)C1
InChIInChI=1S/C20H27N3O3/c24-19(18-5-1-2-6-18)23-9-11-26-20(15-23)14-22(8-10-25-16-20)13-17-4-3-7-21-12-17/h1-4,7,12,18H,5-6,8-11,13-16H2/t20-/m1/s1
InChIKeyKPCDTHWMZCLKNX-HXUWFJFHSA-N
XLogP1.48
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze cyclopent-3-en-1-yl-[(6R)-8-(pyridin-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone with MolForge

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Related Compounds

furan-2-yl-[8-(pyridin-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 134072937
8-methylsulfonyl-4-(pyridin-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 131650651
1-[(6S)-4-(pyridin-4-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 97373177
morpholin-4-yl-[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanone
CID 134075679
[8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-pyridin-3-ylmethanone
CID 134072870
(6R)-4-pyridin-2-yl-8-(pyridin-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 97374631
cyclopent-3-en-1-yl-[8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 133136522
cyclopent-3-en-1-yl-[4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97450797
[4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-thiophen-2-ylmethanone
CID 97372226
morpholin-4-yl-[2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97449404
9-(oxan-4-ylmethyl)-4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane;tris(2,2,2-trifluoroacetic acid)
CID 155841188
[(6R)-4-methyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-pyridin-3-ylmethanone
CID 97494589

Frequently Asked Questions

What is the IUPAC name of cyclopent-3-en-1-yl-[(6R)-8-(pyridin-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone?
The IUPAC name of cyclopent-3-en-1-yl-[(6R)-8-(pyridin-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone (CID 97398414) is cyclopent-3-en-1-yl-[(6R)-8-(pyridin-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone.
What is the SMILES notation for cyclopent-3-en-1-yl-[(6R)-8-(pyridin-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone?
The canonical SMILES for cyclopent-3-en-1-yl-[(6R)-8-(pyridin-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone is O=C(C1CC=CC1)N1CCO[C@@]2(COCCN(Cc3cccnc3)C2)C1.
What is the InChIKey of cyclopent-3-en-1-yl-[(6R)-8-(pyridin-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone?
The InChIKey is KPCDTHWMZCLKNX-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H27N3O3/c24-19(18-5-1-2-6-18)23-9-11-26-20(15-23)14-22(8-10-25-16-20)13-17-4-3-7-21-12-17/h1-4,7,12,18H,5-6,8-11,13-16H2/t20-/m1/s1.
What are the key properties of cyclopent-3-en-1-yl-[(6R)-8-(pyridin-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone?
cyclopent-3-en-1-yl-[(6R)-8-(pyridin-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone has a molecular weight of 357.45 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-yl-[(6R)-8-(pyridin-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone is sourced from PubChem (CID 97398414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).