9-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide

C18H30N4O2 — CID 118743174

IUPAC9-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide
SMILESCC(C)NC(=O)C1CCC2(CCN(Cc3cnn(C)c3)CC2)CO1
InChIInChI=1S/C18H30N4O2/c1-14(2)20-17(23)16-4-5-18(13-24-16)6-8-22(9-7-18)12-15-10-19-21(3)11-15/h10-11,14,16H,4-9,12-13H2,1-3H3,(H,20,23)
InChIKeyNOOPGQQIXAYAOQ-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.71
Rot. Bonds4

About 9-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide

9-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide (PubChem CID 118743174) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 9-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide.

Molecular Properties

Compound Name9-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide
PubChem CID118743174
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name9-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide
SMILESCC(C)NC(=O)C1CCC2(CCN(Cc3cnn(C)c3)CC2)CO1
InChIInChI=1S/C18H30N4O2/c1-14(2)20-17(23)16-4-5-18(13-24-16)6-8-22(9-7-18)12-15-10-19-21(3)11-15/h10-11,14,16H,4-9,12-13H2,1-3H3,(H,20,23)
InChIKeyNOOPGQQIXAYAOQ-UHFFFAOYSA-N
XLogP1.71
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide?
The IUPAC name of 9-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide (CID 118743174) is 9-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide.
What is the SMILES notation for 9-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide?
The canonical SMILES for 9-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide is CC(C)NC(=O)C1CCC2(CCN(Cc3cnn(C)c3)CC2)CO1.
What is the InChIKey of 9-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide?
The InChIKey is NOOPGQQIXAYAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-14(2)20-17(23)16-4-5-18(13-24-16)6-8-22(9-7-18)12-15-10-19-21(3)11-15/h10-11,14,16H,4-9,12-13H2,1-3H3,(H,20,23).
What are the key properties of 9-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide?
9-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide is sourced from PubChem (CID 118743174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).