1-[(5R)-2-[(3S)-oxolan-3-yl]-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone

C19H27N3O2 — CID 98776791

IUPAC1-[(5R)-2-[(3S)-oxolan-3-yl]-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)N1CCC[C@]2(CCN([C@H]3CCOC3)C2)C1
InChIInChI=1S/C19H27N3O2/c23-18(11-16-3-1-7-20-12-16)22-8-2-5-19(15-22)6-9-21(14-19)17-4-10-24-13-17/h1,3,7,12,17H,2,4-6,8-11,13-15H2/t17-,19+/m0/s1
InChIKeyZWHQRVWQUIRWGC-PKOBYXMFSA-N
MW329.44 g/mol
LogP1.73
Rot. Bonds3

About 1-[(5R)-2-[(3S)-oxolan-3-yl]-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone

1-[(5R)-2-[(3S)-oxolan-3-yl]-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone (PubChem CID 98776791) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-[(5R)-2-[(3S)-oxolan-3-yl]-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[(5R)-2-[(3S)-oxolan-3-yl]-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone
PubChem CID98776791
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-[(5R)-2-[(3S)-oxolan-3-yl]-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)N1CCC[C@]2(CCN([C@H]3CCOC3)C2)C1
InChIInChI=1S/C19H27N3O2/c23-18(11-16-3-1-7-20-12-16)22-8-2-5-19(15-22)6-9-21(14-19)17-4-10-24-13-17/h1,3,7,12,17H,2,4-6,8-11,13-15H2/t17-,19+/m0/s1
InChIKeyZWHQRVWQUIRWGC-PKOBYXMFSA-N
XLogP1.73
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(5R)-2-[(3S)-oxolan-3-yl]-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone with MolForge

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Related Compounds

1-[9-[(3S)-oxolan-3-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-pyridin-3-ylethanone
CID 97450931
1-[2-(oxan-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]-2-pyridin-3-ylethanone;bis(2,2,2-trifluoroacetic acid)
CID 118746383
[2-(oxolan-3-yl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 155832394
1-[(5R)-2-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone
CID 97370532
(5R)-N,N-dimethyl-9-(2-pyridin-3-ylacetyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 97370537
1-[2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone
CID 118741130
2-pyridin-3-yl-1-[(5R)-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 97370510
1-(3,3-diphenylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 72933718
[2-(oxolan-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone
CID 131639584
1-[9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-pyridin-3-ylpropan-1-one
CID 45215852
2-pyridin-3-yl-1-(8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)ethanone
CID 98776766
(3aR,6aR)-2-(oxan-4-yl)-5-(2-pyridin-3-ylacetyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 72896725

Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-2-[(3S)-oxolan-3-yl]-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone?
The IUPAC name of 1-[(5R)-2-[(3S)-oxolan-3-yl]-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone (CID 98776791) is 1-[(5R)-2-[(3S)-oxolan-3-yl]-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-[(5R)-2-[(3S)-oxolan-3-yl]-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone?
The canonical SMILES for 1-[(5R)-2-[(3S)-oxolan-3-yl]-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone is O=C(Cc1cccnc1)N1CCC[C@]2(CCN([C@H]3CCOC3)C2)C1.
What is the InChIKey of 1-[(5R)-2-[(3S)-oxolan-3-yl]-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone?
The InChIKey is ZWHQRVWQUIRWGC-PKOBYXMFSA-N. The full InChI is InChI=1S/C19H27N3O2/c23-18(11-16-3-1-7-20-12-16)22-8-2-5-19(15-22)6-9-21(14-19)17-4-10-24-13-17/h1,3,7,12,17H,2,4-6,8-11,13-15H2/t17-,19+/m0/s1.
What are the key properties of 1-[(5R)-2-[(3S)-oxolan-3-yl]-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone?
1-[(5R)-2-[(3S)-oxolan-3-yl]-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone has a molecular weight of 329.44 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R)-2-[(3S)-oxolan-3-yl]-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 98776791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).