[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2-methylpyrazol-3-yl)methanone

C18H27N3O3 — CID 91907700

IUPAC[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CCC2(CC1)CC(OCC1CC1)CCO2
InChIInChI=1S/C18H27N3O3/c1-20-16(4-8-19-20)17(22)21-9-6-18(7-10-21)12-15(5-11-24-18)23-13-14-2-3-14/h4,8,14-15H,2-3,5-7,9-13H2,1H3
InChIKeyIYTCYGQIKNXVJY-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.00
Rot. Bonds4

About [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2-methylpyrazol-3-yl)methanone

[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 91907700) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID91907700
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CCC2(CC1)CC(OCC1CC1)CCO2
InChIInChI=1S/C18H27N3O3/c1-20-16(4-8-19-20)17(22)21-9-6-18(7-10-21)12-15(5-11-24-18)23-13-14-2-3-14/h4,8,14-15H,2-3,5-7,9-13H2,1H3
InChIKeyIYTCYGQIKNXVJY-UHFFFAOYSA-N
XLogP2.00
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2-methylpyrazol-3-yl)methanone (CID 91907700) is [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2-methylpyrazol-3-yl)methanone is Cn1nccc1C(=O)N1CCC2(CC1)CC(OCC1CC1)CCO2.
What is the InChIKey of [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is IYTCYGQIKNXVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-20-16(4-8-19-20)17(22)21-9-6-18(7-10-21)12-15(5-11-24-18)23-13-14-2-3-14/h4,8,14-15H,2-3,5-7,9-13H2,1H3.
What are the key properties of [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2-methylpyrazol-3-yl)methanone?
[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 333.43 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 91907700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).