8-methyl-2-propyl-N-(2-pyrazol-1-ylethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide

C18H31N5O — CID 56882763

IUPAC8-methyl-2-propyl-N-(2-pyrazol-1-ylethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCN1CC2(CCN(C)CC2)CC1C(=O)NCCn1cccn1
InChIInChI=1S/C18H31N5O/c1-3-9-22-15-18(5-11-21(2)12-6-18)14-16(22)17(24)19-8-13-23-10-4-7-20-23/h4,7,10,16H,3,5-6,8-9,11-15H2,1-2H3,(H,19,24)
InChIKeyXZIDKONVKCKAFP-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.20
Rot. Bonds6

About 8-methyl-2-propyl-N-(2-pyrazol-1-ylethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide

8-methyl-2-propyl-N-(2-pyrazol-1-ylethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 56882763) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is 8-methyl-2-propyl-N-(2-pyrazol-1-ylethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name8-methyl-2-propyl-N-(2-pyrazol-1-ylethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID56882763
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC Name8-methyl-2-propyl-N-(2-pyrazol-1-ylethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCN1CC2(CCN(C)CC2)CC1C(=O)NCCn1cccn1
InChIInChI=1S/C18H31N5O/c1-3-9-22-15-18(5-11-21(2)12-6-18)14-16(22)17(24)19-8-13-23-10-4-7-20-23/h4,7,10,16H,3,5-6,8-9,11-15H2,1-2H3,(H,19,24)
InChIKeyXZIDKONVKCKAFP-UHFFFAOYSA-N
XLogP1.20
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-propyl-N-(2-pyrazol-1-ylethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of 8-methyl-2-propyl-N-(2-pyrazol-1-ylethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 56882763) is 8-methyl-2-propyl-N-(2-pyrazol-1-ylethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for 8-methyl-2-propyl-N-(2-pyrazol-1-ylethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for 8-methyl-2-propyl-N-(2-pyrazol-1-ylethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide is CCCN1CC2(CCN(C)CC2)CC1C(=O)NCCn1cccn1.
What is the InChIKey of 8-methyl-2-propyl-N-(2-pyrazol-1-ylethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is XZIDKONVKCKAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O/c1-3-9-22-15-18(5-11-21(2)12-6-18)14-16(22)17(24)19-8-13-23-10-4-7-20-23/h4,7,10,16H,3,5-6,8-9,11-15H2,1-2H3,(H,19,24).
What are the key properties of 8-methyl-2-propyl-N-(2-pyrazol-1-ylethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide?
8-methyl-2-propyl-N-(2-pyrazol-1-ylethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-propyl-N-(2-pyrazol-1-ylethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 56882763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).