3-(cyclopropylmethoxy)-1-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one

C21H30N4O4 — CID 91912907

IUPAC3-(cyclopropylmethoxy)-1-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one
SMILESCn1nccc1C(=O)N1CCC(N2C(=O)C(OCC3CC3)C23CCOCC3)CC1
InChIInChI=1S/C21H30N4O4/c1-23-17(4-9-22-23)19(26)24-10-5-16(6-11-24)25-20(27)18(29-14-15-2-3-15)21(25)7-12-28-13-8-21/h4,9,15-16,18H,2-3,5-8,10-14H2,1H3
InChIKeyJIDSFOMCHYDFBS-UHFFFAOYSA-N
MW402.50 g/mol
LogP1.21
Rot. Bonds5

About 3-(cyclopropylmethoxy)-1-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one

3-(cyclopropylmethoxy)-1-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one (PubChem CID 91912907) has the molecular formula C21H30N4O4 and a molecular weight of 402.50 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-1-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-1-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one
PubChem CID91912907
Molecular FormulaC21H30N4O4
Molecular Weight402.50 g/mol
Exact Mass402.23
IUPAC Name3-(cyclopropylmethoxy)-1-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one
SMILESCn1nccc1C(=O)N1CCC(N2C(=O)C(OCC3CC3)C23CCOCC3)CC1
InChIInChI=1S/C21H30N4O4/c1-23-17(4-9-22-23)19(26)24-10-5-16(6-11-24)25-20(27)18(29-14-15-2-3-15)21(25)7-12-28-13-8-21/h4,9,15-16,18H,2-3,5-8,10-14H2,1H3
InChIKeyJIDSFOMCHYDFBS-UHFFFAOYSA-N
XLogP1.21
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-1-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one?
The IUPAC name of 3-(cyclopropylmethoxy)-1-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one (CID 91912907) is 3-(cyclopropylmethoxy)-1-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one.
What is the SMILES notation for 3-(cyclopropylmethoxy)-1-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one?
The canonical SMILES for 3-(cyclopropylmethoxy)-1-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one is Cn1nccc1C(=O)N1CCC(N2C(=O)C(OCC3CC3)C23CCOCC3)CC1.
What is the InChIKey of 3-(cyclopropylmethoxy)-1-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one?
The InChIKey is JIDSFOMCHYDFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O4/c1-23-17(4-9-22-23)19(26)24-10-5-16(6-11-24)25-20(27)18(29-14-15-2-3-15)21(25)7-12-28-13-8-21/h4,9,15-16,18H,2-3,5-8,10-14H2,1H3.
What are the key properties of 3-(cyclopropylmethoxy)-1-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one?
3-(cyclopropylmethoxy)-1-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one has a molecular weight of 402.50 g/mol, XLogP of 1.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-1-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one is sourced from PubChem (CID 91912907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).