1-[(6S)-2-[(6-methyl-2-pyridinyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]ethanone

C18H27N3O2 — CID 97494997

IUPAC1-[(6S)-2-[(6-methyl-2-pyridinyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]ethanone
SMILESCC(=O)N1CCOC[C@]2(CCCN(Cc3cccc(C)n3)C2)C1
InChIInChI=1S/C18H27N3O2/c1-15-5-3-6-17(19-15)11-20-8-4-7-18(12-20)13-21(16(2)22)9-10-23-14-18/h3,5-6H,4,7-14H2,1-2H3/t18-/m0/s1
InChIKeyFXNOPEQHPAMQQS-SFHVURJKSA-N
MW317.43 g/mol
LogP1.85
Rot. Bonds2

About 1-[(6S)-2-[(6-methyl-2-pyridinyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]ethanone

1-[(6S)-2-[(6-methyl-2-pyridinyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]ethanone (PubChem CID 97494997) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-[(6S)-2-[(6-methyl-2-pyridinyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]ethanone.

Molecular Properties

Compound Name1-[(6S)-2-[(6-methyl-2-pyridinyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]ethanone
PubChem CID97494997
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-[(6S)-2-[(6-methyl-2-pyridinyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]ethanone
SMILESCC(=O)N1CCOC[C@]2(CCCN(Cc3cccc(C)n3)C2)C1
InChIInChI=1S/C18H27N3O2/c1-15-5-3-6-17(19-15)11-20-8-4-7-18(12-20)13-21(16(2)22)9-10-23-14-18/h3,5-6H,4,7-14H2,1-2H3/t18-/m0/s1
InChIKeyFXNOPEQHPAMQQS-SFHVURJKSA-N
XLogP1.85
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(6S)-2-[(6-methyl-2-pyridinyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]ethanone with MolForge

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Related Compounds

1-[(6S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]ethanone
CID 97494995
[2-methyl-4-[(6-methyl-2-pyridinyl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
CID 118740287
[(5R,9R)-2-[(6-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone
CID 98895994
(2,5-dimethylfuran-3-yl)-[(5S)-9-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 97483264
(2-ethylpyrazol-3-yl)-[8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methanone
CID 155878250
N,N-dimethyl-2-[(5R)-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]acetamide
CID 97482384
2-methyl-1-[(6S)-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]propan-1-one
CID 97492474
(3-fluorothiophen-2-yl)-[8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methanone
CID 155878144
3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-ol
CID 115873962
1-[(5S)-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-phenoxyethanone
CID 95221644
(5R)-2-(2-fluoroethyl)-7-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decane
CID 97483305
2-[(6S)-11-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]acetic acid
CID 97495025

Frequently Asked Questions

What is the IUPAC name of 1-[(6S)-2-[(6-methyl-2-pyridinyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]ethanone?
The IUPAC name of 1-[(6S)-2-[(6-methyl-2-pyridinyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]ethanone (CID 97494997) is 1-[(6S)-2-[(6-methyl-2-pyridinyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]ethanone.
What is the SMILES notation for 1-[(6S)-2-[(6-methyl-2-pyridinyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]ethanone?
The canonical SMILES for 1-[(6S)-2-[(6-methyl-2-pyridinyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]ethanone is CC(=O)N1CCOC[C@]2(CCCN(Cc3cccc(C)n3)C2)C1.
What is the InChIKey of 1-[(6S)-2-[(6-methyl-2-pyridinyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]ethanone?
The InChIKey is FXNOPEQHPAMQQS-SFHVURJKSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-15-5-3-6-17(19-15)11-20-8-4-7-18(12-20)13-21(16(2)22)9-10-23-14-18/h3,5-6H,4,7-14H2,1-2H3/t18-/m0/s1.
What are the key properties of 1-[(6S)-2-[(6-methyl-2-pyridinyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]ethanone?
1-[(6S)-2-[(6-methyl-2-pyridinyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]ethanone has a molecular weight of 317.43 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S)-2-[(6-methyl-2-pyridinyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]ethanone is sourced from PubChem (CID 97494997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).