(5S)-3-methyl-9-(3-methyl-1-propylpyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C16H24N4O3 — CID 95728756

IUPAC(5S)-3-methyl-9-(3-methyl-1-propylpyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCCCn1cc(C(=O)N2CCC[C@@]3(CN(C)C(=O)O3)C2)c(C)n1
InChIInChI=1S/C16H24N4O3/c1-4-7-20-9-13(12(2)17-20)14(21)19-8-5-6-16(11-19)10-18(3)15(22)23-16/h9H,4-8,10-11H2,1-3H3/t16-/m1/s1
InChIKeyONOGSEGYKWCAHA-MRXNPFEDSA-N
MW320.39 g/mol
LogP1.66
Rot. Bonds3

About (5S)-3-methyl-9-(3-methyl-1-propylpyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one

(5S)-3-methyl-9-(3-methyl-1-propylpyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 95728756) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is (5S)-3-methyl-9-(3-methyl-1-propylpyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5S)-3-methyl-9-(3-methyl-1-propylpyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID95728756
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name(5S)-3-methyl-9-(3-methyl-1-propylpyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCCCn1cc(C(=O)N2CCC[C@@]3(CN(C)C(=O)O3)C2)c(C)n1
InChIInChI=1S/C16H24N4O3/c1-4-7-20-9-13(12(2)17-20)14(21)19-8-5-6-16(11-19)10-18(3)15(22)23-16/h9H,4-8,10-11H2,1-3H3/t16-/m1/s1
InChIKeyONOGSEGYKWCAHA-MRXNPFEDSA-N
XLogP1.66
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(4,6-dimethylpyridine-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56907002
(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(3-methyl-1-propylpyrazol-4-yl)methanone
CID 56756865
(5R)-9-(4-methoxy-2-methylbenzoyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95723972
(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(3-methyl-1-propylpyrazol-4-yl)methanone
CID 138807598
3-methyl-9-(5-methyl-1H-imidazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56919336
(5S)-3-methyl-7-(5-propyl-1,2-oxazole-4-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95713149
(5R)-3-methyl-9-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 126444687
3-methyl-9-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 131905488
N-[5-chloro-2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carbonyl)phenyl]propanamide
CID 131921886
(5S)-9-(7-fluoro-2-methylquinoline-4-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95716535
(5R)-3-methyl-9-(4-pyrrolidin-1-ylbenzoyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 99976442
2-cyclopropyl-1'-(3-methyl-1-propylpyrazole-4-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154817402

Frequently Asked Questions

What is the IUPAC name of (5S)-3-methyl-9-(3-methyl-1-propylpyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5S)-3-methyl-9-(3-methyl-1-propylpyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 95728756) is (5S)-3-methyl-9-(3-methyl-1-propylpyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5S)-3-methyl-9-(3-methyl-1-propylpyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5S)-3-methyl-9-(3-methyl-1-propylpyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one is CCCn1cc(C(=O)N2CCC[C@@]3(CN(C)C(=O)O3)C2)c(C)n1.
What is the InChIKey of (5S)-3-methyl-9-(3-methyl-1-propylpyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is ONOGSEGYKWCAHA-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-4-7-20-9-13(12(2)17-20)14(21)19-8-5-6-16(11-19)10-18(3)15(22)23-16/h9H,4-8,10-11H2,1-3H3/t16-/m1/s1.
What are the key properties of (5S)-3-methyl-9-(3-methyl-1-propylpyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
(5S)-3-methyl-9-(3-methyl-1-propylpyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 320.39 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-methyl-9-(3-methyl-1-propylpyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 95728756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).