6-azaspiro[3.4]octan-6-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone

C16H24N4O — CID 120933196

IUPAC6-azaspiro[3.4]octan-6-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone
SMILESO=C(N1CCC2(CCC2)C1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C16H24N4O/c21-14(19-12-7-15(13-19)3-1-4-15)16(5-9-17-10-6-16)20-11-2-8-18-20/h2,8,11,17H,1,3-7,9-10,12-13H2
InChIKeyXHGJOFVVIMHOJC-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.36
Rot. Bonds2

About 6-azaspiro[3.4]octan-6-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone

6-azaspiro[3.4]octan-6-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone (PubChem CID 120933196) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 6-azaspiro[3.4]octan-6-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name6-azaspiro[3.4]octan-6-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone
PubChem CID120933196
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name6-azaspiro[3.4]octan-6-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone
SMILESO=C(N1CCC2(CCC2)C1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C16H24N4O/c21-14(19-12-7-15(13-19)3-1-4-15)16(5-9-17-10-6-16)20-11-2-8-18-20/h2,8,11,17H,1,3-7,9-10,12-13H2
InChIKeyXHGJOFVVIMHOJC-UHFFFAOYSA-N
XLogP1.36
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-oxa-2-azaspiro[4.5]decan-2-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120936794
morpholin-4-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120917128
(4-ethyl-4-methylpiperidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120930116
(3-methyl-3-phenylpiperidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120932921
4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-sulfonamide;hydrochloride
CID 120920971
(4-pyrazol-1-ylpiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 120937777
(4-cyclopentyl-1,4-diazepan-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 120940661
(4-pyrazol-1-ylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 120918558
phenyl-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 120918643
(4-cyclopentyl-1,4-diazepan-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120940660
[3-(dimethylamino)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120940910
(4-pyrazol-1-ylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
CID 120918557

Frequently Asked Questions

What is the IUPAC name of 6-azaspiro[3.4]octan-6-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone?
The IUPAC name of 6-azaspiro[3.4]octan-6-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone (CID 120933196) is 6-azaspiro[3.4]octan-6-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone.
What is the SMILES notation for 6-azaspiro[3.4]octan-6-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone?
The canonical SMILES for 6-azaspiro[3.4]octan-6-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone is O=C(N1CCC2(CCC2)C1)C1(n2cccn2)CCNCC1.
What is the InChIKey of 6-azaspiro[3.4]octan-6-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone?
The InChIKey is XHGJOFVVIMHOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c21-14(19-12-7-15(13-19)3-1-4-15)16(5-9-17-10-6-16)20-11-2-8-18-20/h2,8,11,17H,1,3-7,9-10,12-13H2.
What are the key properties of 6-azaspiro[3.4]octan-6-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone?
6-azaspiro[3.4]octan-6-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone has a molecular weight of 288.39 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azaspiro[3.4]octan-6-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone is sourced from PubChem (CID 120933196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).