9-(cyclopropylmethyl)-5-methyl-4-(1-methylpyrazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C17H26N4O2 — CID 118744414

IUPAC9-(cyclopropylmethyl)-5-methyl-4-(1-methylpyrazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC1N(c2cnn(C)c2)C(=O)COC12CCN(CC1CC1)CC2
InChIInChI=1S/C17H26N4O2/c1-13-17(5-7-20(8-6-17)10-14-3-4-14)23-12-16(22)21(13)15-9-18-19(2)11-15/h9,11,13-14H,3-8,10,12H2,1-2H3
InChIKeyGJGAZSPQXSSNQJ-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.42
Rot. Bonds3

About 9-(cyclopropylmethyl)-5-methyl-4-(1-methylpyrazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-(cyclopropylmethyl)-5-methyl-4-(1-methylpyrazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 118744414) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 9-(cyclopropylmethyl)-5-methyl-4-(1-methylpyrazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(cyclopropylmethyl)-5-methyl-4-(1-methylpyrazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID118744414
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name9-(cyclopropylmethyl)-5-methyl-4-(1-methylpyrazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC1N(c2cnn(C)c2)C(=O)COC12CCN(CC1CC1)CC2
InChIInChI=1S/C17H26N4O2/c1-13-17(5-7-20(8-6-17)10-14-3-4-14)23-12-16(22)21(13)15-9-18-19(2)11-15/h9,11,13-14H,3-8,10,12H2,1-2H3
InChIKeyGJGAZSPQXSSNQJ-UHFFFAOYSA-N
XLogP1.42
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(cyclopropylmethyl)-5-methyl-4-(1-methylpyrazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(cyclopropylmethyl)-5-methyl-4-(1-methylpyrazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 118744414) is 9-(cyclopropylmethyl)-5-methyl-4-(1-methylpyrazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(cyclopropylmethyl)-5-methyl-4-(1-methylpyrazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(cyclopropylmethyl)-5-methyl-4-(1-methylpyrazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CC1N(c2cnn(C)c2)C(=O)COC12CCN(CC1CC1)CC2.
What is the InChIKey of 9-(cyclopropylmethyl)-5-methyl-4-(1-methylpyrazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is GJGAZSPQXSSNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-13-17(5-7-20(8-6-17)10-14-3-4-14)23-12-16(22)21(13)15-9-18-19(2)11-15/h9,11,13-14H,3-8,10,12H2,1-2H3.
What are the key properties of 9-(cyclopropylmethyl)-5-methyl-4-(1-methylpyrazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-(cyclopropylmethyl)-5-methyl-4-(1-methylpyrazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 318.42 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclopropylmethyl)-5-methyl-4-(1-methylpyrazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 118744414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).