(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(3-methyl-1-propylpyrazol-4-yl)methanone

C17H28N4O2 — CID 138807598

IUPAC(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(3-methyl-1-propylpyrazol-4-yl)methanone
SMILESCCCn1cc(C(=O)N2CCN(C)C3(CCOCC3)C2)c(C)n1
InChIInChI=1S/C17H28N4O2/c1-4-7-21-12-15(14(2)18-21)16(22)20-9-8-19(3)17(13-20)5-10-23-11-6-17/h12H,4-11,13H2,1-3H3
InChIKeyXVHOIVQJVMXIEF-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.54
Rot. Bonds3

About (1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(3-methyl-1-propylpyrazol-4-yl)methanone

(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(3-methyl-1-propylpyrazol-4-yl)methanone (PubChem CID 138807598) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is (1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(3-methyl-1-propylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(3-methyl-1-propylpyrazol-4-yl)methanone
PubChem CID138807598
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(3-methyl-1-propylpyrazol-4-yl)methanone
SMILESCCCn1cc(C(=O)N2CCN(C)C3(CCOCC3)C2)c(C)n1
InChIInChI=1S/C17H28N4O2/c1-4-7-21-12-15(14(2)18-21)16(22)20-9-8-19(3)17(13-20)5-10-23-11-6-17/h12H,4-11,13H2,1-3H3
InChIKeyXVHOIVQJVMXIEF-UHFFFAOYSA-N
XLogP1.54
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(3-methyl-1-propylpyrazol-4-yl)methanone
CID 56756865
(5S)-3-methyl-9-(3-methyl-1-propylpyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95728756
3-methyl-1-propylpyrazole-4-carbonyl chloride
CID 15616731
(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)methanone
CID 155492369
(3-methyl-1-propylpyrazol-4-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone
CID 72903177
(1,3-dimethylpyrazol-4-yl)-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 124982202
(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-[4-(tetrazol-1-yl)phenyl]methanone
CID 138808160
[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)methanone
CID 138807026
(1-methyl-1,4-diazaspiro[5.5]undecan-4-yl)-(4-methyl-1H-pyrrol-3-yl)methanone
CID 126839749
(3-methyl-1-propylpyrazol-4-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 72864146
4-[(3R)-1-(3-methyl-1-propylpyrazole-4-carbonyl)piperidin-3-yl]benzoic acid
CID 97205329
4-fluoro-3-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane-4-carbonyl)benzenesulfonamide
CID 138806856

Frequently Asked Questions

What is the IUPAC name of (1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(3-methyl-1-propylpyrazol-4-yl)methanone?
The IUPAC name of (1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(3-methyl-1-propylpyrazol-4-yl)methanone (CID 138807598) is (1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(3-methyl-1-propylpyrazol-4-yl)methanone.
What is the SMILES notation for (1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(3-methyl-1-propylpyrazol-4-yl)methanone?
The canonical SMILES for (1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(3-methyl-1-propylpyrazol-4-yl)methanone is CCCn1cc(C(=O)N2CCN(C)C3(CCOCC3)C2)c(C)n1.
What is the InChIKey of (1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(3-methyl-1-propylpyrazol-4-yl)methanone?
The InChIKey is XVHOIVQJVMXIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-4-7-21-12-15(14(2)18-21)16(22)20-9-8-19(3)17(13-20)5-10-23-11-6-17/h12H,4-11,13H2,1-3H3.
What are the key properties of (1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(3-methyl-1-propylpyrazol-4-yl)methanone?
(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(3-methyl-1-propylpyrazol-4-yl)methanone has a molecular weight of 320.44 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(3-methyl-1-propylpyrazol-4-yl)methanone is sourced from PubChem (CID 138807598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).