(8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-pyridin-4-ylmethanone

C17H25N3O3 — CID 131640395

IUPAC(8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-pyridin-4-ylmethanone
SMILESCC(C)N1CCOCC2(CN(C(=O)c3ccncc3)CCO2)C1
InChIInChI=1S/C17H25N3O3/c1-14(2)19-7-9-22-13-17(11-19)12-20(8-10-23-17)16(21)15-3-5-18-6-4-15/h3-6,14H,7-13H2,1-2H3
InChIKeyFRMQNLYFNOOFBE-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.03
Rot. Bonds2

About (8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-pyridin-4-ylmethanone

(8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-pyridin-4-ylmethanone (PubChem CID 131640395) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is (8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-pyridin-4-ylmethanone.

Molecular Properties

Compound Name(8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-pyridin-4-ylmethanone
PubChem CID131640395
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name(8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-pyridin-4-ylmethanone
SMILESCC(C)N1CCOCC2(CN(C(=O)c3ccncc3)CCO2)C1
InChIInChI=1S/C17H25N3O3/c1-14(2)19-7-9-22-13-17(11-19)12-20(8-10-23-17)16(21)15-3-5-18-6-4-15/h3-6,14H,7-13H2,1-2H3
InChIKeyFRMQNLYFNOOFBE-UHFFFAOYSA-N
XLogP1.03
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-pyridin-4-ylmethanone with MolForge

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Related Compounds

1-[(6S)-4-(pyridine-4-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 97398463
(4-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl)-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 155837685
pyridin-4-yl-(8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone
CID 134070473
1-[4-(pyridazine-4-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 131663115
[(6R)-4-methyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-pyridin-3-ylmethanone
CID 97494589
formic acid;(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-pyridin-4-ylmethanone
CID 154919240
1-[(6S)-4-(pyridin-4-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 97373177
N,N-dimethyl-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155847814
1-[(6R)-4-(pyrazine-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 97415961
[8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-pyridin-3-ylmethanone
CID 134072870
furan-3-yl-[(6R)-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 97373146
N,N-dimethyl-2-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxamide
CID 156737064

Frequently Asked Questions

What is the IUPAC name of (8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-pyridin-4-ylmethanone?
The IUPAC name of (8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-pyridin-4-ylmethanone (CID 131640395) is (8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-pyridin-4-ylmethanone.
What is the SMILES notation for (8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-pyridin-4-ylmethanone?
The canonical SMILES for (8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-pyridin-4-ylmethanone is CC(C)N1CCOCC2(CN(C(=O)c3ccncc3)CCO2)C1.
What is the InChIKey of (8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-pyridin-4-ylmethanone?
The InChIKey is FRMQNLYFNOOFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-14(2)19-7-9-22-13-17(11-19)12-20(8-10-23-17)16(21)15-3-5-18-6-4-15/h3-6,14H,7-13H2,1-2H3.
What are the key properties of (8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-pyridin-4-ylmethanone?
(8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-pyridin-4-ylmethanone has a molecular weight of 319.40 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-pyridin-4-ylmethanone is sourced from PubChem (CID 131640395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).