[(3S,5R)-3-[(dimethylamino)methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1-methylpyrazol-3-yl)methanone

C16H26N4O2 — CID 97397134

IUPAC[(3S,5R)-3-[(dimethylamino)methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCN(C)C[C@H]1CO[C@]2(CCCN(C(=O)c3ccn(C)n3)C2)C1
InChIInChI=1S/C16H26N4O2/c1-18(2)10-13-9-16(22-11-13)6-4-7-20(12-16)15(21)14-5-8-19(3)17-14/h5,8,13H,4,6-7,9-12H2,1-3H3/t13-,16+/m0/s1
InChIKeyNGTAPJXIUFBEOZ-XJKSGUPXSA-N
MW306.41 g/mol
LogP0.99
Rot. Bonds3

About [(3S,5R)-3-[(dimethylamino)methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1-methylpyrazol-3-yl)methanone

[(3S,5R)-3-[(dimethylamino)methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1-methylpyrazol-3-yl)methanone (PubChem CID 97397134) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is [(3S,5R)-3-[(dimethylamino)methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(3S,5R)-3-[(dimethylamino)methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1-methylpyrazol-3-yl)methanone
PubChem CID97397134
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name[(3S,5R)-3-[(dimethylamino)methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCN(C)C[C@H]1CO[C@]2(CCCN(C(=O)c3ccn(C)n3)C2)C1
InChIInChI=1S/C16H26N4O2/c1-18(2)10-13-9-16(22-11-13)6-4-7-20(12-16)15(21)14-5-8-19(3)17-14/h5,8,13H,4,6-7,9-12H2,1-3H3/t13-,16+/m0/s1
InChIKeyNGTAPJXIUFBEOZ-XJKSGUPXSA-N
XLogP0.99
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3S,5R)-3-[(dimethylamino)methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1-methylpyrazol-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-methylpyrazol-3-yl)-[(3R,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97419568
1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(1-methylpyrazol-3-yl)methanone
CID 103860781
[(3S,5R)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone
CID 97488610
[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1-methylpyrazol-3-yl)methanone
CID 131648665
(3R)-N,N,3-trimethyl-1-(1-methylpyrazole-3-carbonyl)piperidine-3-carboxamide
CID 95815536
(1-methylpyrazol-3-yl)-piperidin-1-ylmethanone
CID 19577577
[(3R,5R)-3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(3-methylimidazol-4-yl)methanone
CID 97395226
[4-(aminomethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103115889
pyridin-2-yl-[3-(pyrrolidin-1-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 134079023
N,N,2-trimethyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide
CID 110253416
[(3R,5R)-3-methyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone
CID 97488597
[(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 95848592

Frequently Asked Questions

What is the IUPAC name of [(3S,5R)-3-[(dimethylamino)methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of [(3S,5R)-3-[(dimethylamino)methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1-methylpyrazol-3-yl)methanone (CID 97397134) is [(3S,5R)-3-[(dimethylamino)methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [(3S,5R)-3-[(dimethylamino)methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for [(3S,5R)-3-[(dimethylamino)methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1-methylpyrazol-3-yl)methanone is CN(C)C[C@H]1CO[C@]2(CCCN(C(=O)c3ccn(C)n3)C2)C1.
What is the InChIKey of [(3S,5R)-3-[(dimethylamino)methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1-methylpyrazol-3-yl)methanone?
The InChIKey is NGTAPJXIUFBEOZ-XJKSGUPXSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-18(2)10-13-9-16(22-11-13)6-4-7-20(12-16)15(21)14-5-8-19(3)17-14/h5,8,13H,4,6-7,9-12H2,1-3H3/t13-,16+/m0/s1.
What are the key properties of [(3S,5R)-3-[(dimethylamino)methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1-methylpyrazol-3-yl)methanone?
[(3S,5R)-3-[(dimethylamino)methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1-methylpyrazol-3-yl)methanone has a molecular weight of 306.41 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5R)-3-[(dimethylamino)methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 97397134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).