8-oxa-2-azaspiro[4.5]decan-2-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride

C17H27ClN4O2 — CID 120936794

IUPAC8-oxa-2-azaspiro[4.5]decan-2-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
SMILESCl.O=C(N1CCC2(CCOCC2)C1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C17H26N4O2.ClH/c22-15(20-11-4-16(14-20)5-12-23-13-6-16)17(2-8-18-9-3-17)21-10-1-7-19-21;/h1,7,10,18H,2-6,8-9,11-14H2;1H
InChIKeyFEBZOCGFVJQJRM-UHFFFAOYSA-N
MW354.88 g/mol
LogP1.41
Rot. Bonds2

About 8-oxa-2-azaspiro[4.5]decan-2-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride

8-oxa-2-azaspiro[4.5]decan-2-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride (PubChem CID 120936794) has the molecular formula C17H27ClN4O2 and a molecular weight of 354.88 g/mol. Its IUPAC name is 8-oxa-2-azaspiro[4.5]decan-2-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name8-oxa-2-azaspiro[4.5]decan-2-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
PubChem CID120936794
Molecular FormulaC17H27ClN4O2
Molecular Weight354.88 g/mol
Exact Mass354.18
IUPAC Name8-oxa-2-azaspiro[4.5]decan-2-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
SMILESCl.O=C(N1CCC2(CCOCC2)C1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C17H26N4O2.ClH/c22-15(20-11-4-16(14-20)5-12-23-13-6-16)17(2-8-18-9-3-17)21-10-1-7-19-21;/h1,7,10,18H,2-6,8-9,11-14H2;1H
InChIKeyFEBZOCGFVJQJRM-UHFFFAOYSA-N
XLogP1.41
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-azaspiro[3.4]octan-6-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 120933196
morpholin-4-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120917128
[4-(morpholin-4-ylmethyl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120939296
(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120942755
(4-ethyl-4-methylpiperidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120930116
4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-sulfonamide;hydrochloride
CID 120920971
phenyl-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 120918643
(3-methyl-3-phenylpiperidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120932921
(4-pyrazol-1-ylpiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 120937777
N,N-diethyl-4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-carboxamide;hydrochloride
CID 120923593
furan-2-yl-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 120917356
[2-(methoxymethyl)morpholin-4-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120933760

Frequently Asked Questions

What is the IUPAC name of 8-oxa-2-azaspiro[4.5]decan-2-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride?
The IUPAC name of 8-oxa-2-azaspiro[4.5]decan-2-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride (CID 120936794) is 8-oxa-2-azaspiro[4.5]decan-2-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride.
What is the SMILES notation for 8-oxa-2-azaspiro[4.5]decan-2-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride?
The canonical SMILES for 8-oxa-2-azaspiro[4.5]decan-2-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride is Cl.O=C(N1CCC2(CCOCC2)C1)C1(n2cccn2)CCNCC1.
What is the InChIKey of 8-oxa-2-azaspiro[4.5]decan-2-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride?
The InChIKey is FEBZOCGFVJQJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2.ClH/c22-15(20-11-4-16(14-20)5-12-23-13-6-16)17(2-8-18-9-3-17)21-10-1-7-19-21;/h1,7,10,18H,2-6,8-9,11-14H2;1H.
What are the key properties of 8-oxa-2-azaspiro[4.5]decan-2-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride?
8-oxa-2-azaspiro[4.5]decan-2-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxa-2-azaspiro[4.5]decan-2-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride is sourced from PubChem (CID 120936794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).