8-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide

C19H33N5O — CID 56908370

IUPAC8-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCN1CC2(CCN(C)CC2)CC1C(=O)NCCn1cc(C)cn1
InChIInChI=1S/C19H33N5O/c1-4-8-23-15-19(5-9-22(3)10-6-19)12-17(23)18(25)20-7-11-24-14-16(2)13-21-24/h13-14,17H,4-12,15H2,1-3H3,(H,20,25)
InChIKeyTWPOKRNZEXBRJP-UHFFFAOYSA-N
MW347.51 g/mol
LogP1.50
Rot. Bonds6

About 8-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide

8-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 56908370) has the molecular formula C19H33N5O and a molecular weight of 347.51 g/mol. Its IUPAC name is 8-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name8-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID56908370
Molecular FormulaC19H33N5O
Molecular Weight347.51 g/mol
Exact Mass347.27
IUPAC Name8-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCN1CC2(CCN(C)CC2)CC1C(=O)NCCn1cc(C)cn1
InChIInChI=1S/C19H33N5O/c1-4-8-23-15-19(5-9-22(3)10-6-19)12-17(23)18(25)20-7-11-24-14-16(2)13-21-24/h13-14,17H,4-12,15H2,1-3H3,(H,20,25)
InChIKeyTWPOKRNZEXBRJP-UHFFFAOYSA-N
XLogP1.50
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of 8-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 56908370) is 8-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for 8-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for 8-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide is CCCN1CC2(CCN(C)CC2)CC1C(=O)NCCn1cc(C)cn1.
What is the InChIKey of 8-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is TWPOKRNZEXBRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O/c1-4-8-23-15-19(5-9-22(3)10-6-19)12-17(23)18(25)20-7-11-24-14-16(2)13-21-24/h13-14,17H,4-12,15H2,1-3H3,(H,20,25).
What are the key properties of 8-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
8-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 347.51 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 56908370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).