4-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane;dihydrochloride

C16H30Cl2N4O — CID 154913358

IUPAC4-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane;dihydrochloride
SMILESCc1cc(C)n(CC(C)N2CCOC3(CCNCC3)C2)n1.Cl.Cl
InChIInChI=1S/C16H28N4O.2ClH/c1-13-10-14(2)20(18-13)11-15(3)19-8-9-21-16(12-19)4-6-17-7-5-16;;/h10,15,17H,4-9,11-12H2,1-3H3;2*1H
InChIKeyUBABZXWMBHLUDZ-UHFFFAOYSA-N
MW365.35 g/mol
LogP2.19
Rot. Bonds3

About 4-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane;dihydrochloride

4-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane;dihydrochloride (PubChem CID 154913358) has the molecular formula C16H30Cl2N4O and a molecular weight of 365.35 g/mol. Its IUPAC name is 4-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane;dihydrochloride.

Molecular Properties

Compound Name4-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane;dihydrochloride
PubChem CID154913358
Molecular FormulaC16H30Cl2N4O
Molecular Weight365.35 g/mol
Exact Mass364.18
IUPAC Name4-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane;dihydrochloride
SMILESCc1cc(C)n(CC(C)N2CCOC3(CCNCC3)C2)n1.Cl.Cl
InChIInChI=1S/C16H28N4O.2ClH/c1-13-10-14(2)20(18-13)11-15(3)19-8-9-21-16(12-19)4-6-17-7-5-16;;/h10,15,17H,4-9,11-12H2,1-3H3;2*1H
InChIKeyUBABZXWMBHLUDZ-UHFFFAOYSA-N
XLogP2.19
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 164635188
1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-fluorophenyl)piperazine
CID 131935560
7-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane
CID 130971030
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(4-methylphenoxy)piperidine-4-carboxamide
CID 70757967
(2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propan-2-amine
CID 125436312
3-propan-2-yl-3,9-diazaspiro[5.5]undecane;4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine
CID 167602372
4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1-oxa-9-azaspiro[5.5]undecane;dihydrochloride
CID 154920458
1-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-[(9R)-6-oxaspiro[4.5]decan-9-yl]urea
CID 97234916
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide
CID 72891932
(2-methyl-1,3-thiazol-4-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone;hydrochloride
CID 67291637
[4-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1,4-diazepan-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 138806201
ethyl 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate
CID 97449218

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane;dihydrochloride?
The IUPAC name of 4-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane;dihydrochloride (CID 154913358) is 4-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane;dihydrochloride.
What is the SMILES notation for 4-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane;dihydrochloride?
The canonical SMILES for 4-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane;dihydrochloride is Cc1cc(C)n(CC(C)N2CCOC3(CCNCC3)C2)n1.Cl.Cl.
What is the InChIKey of 4-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane;dihydrochloride?
The InChIKey is UBABZXWMBHLUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O.2ClH/c1-13-10-14(2)20(18-13)11-15(3)19-8-9-21-16(12-19)4-6-17-7-5-16;;/h10,15,17H,4-9,11-12H2,1-3H3;2*1H.
What are the key properties of 4-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane;dihydrochloride?
4-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane;dihydrochloride has a molecular weight of 365.35 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane;dihydrochloride is sourced from PubChem (CID 154913358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).