8-(5-acetyl-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C19H27N3O3 — CID 56909759

IUPAC8-(5-acetyl-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCCCN1CC2(CCN(c3ccc(C(C)=O)cn3)CC2)CC1C(=O)O
InChIInChI=1S/C19H27N3O3/c1-3-8-22-13-19(11-16(22)18(24)25)6-9-21(10-7-19)17-5-4-15(12-20-17)14(2)23/h4-5,12,16H,3,6-11,13H2,1-2H3,(H,24,25)
InChIKeyDBOUQLLFNFIQJY-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.44
Rot. Bonds5

About 8-(5-acetyl-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

8-(5-acetyl-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 56909759) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 8-(5-acetyl-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name8-(5-acetyl-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID56909759
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name8-(5-acetyl-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCCCN1CC2(CCN(c3ccc(C(C)=O)cn3)CC2)CC1C(=O)O
InChIInChI=1S/C19H27N3O3/c1-3-8-22-13-19(11-16(22)18(24)25)6-9-21(10-7-19)17-5-4-15(12-20-17)14(2)23/h4-5,12,16H,3,6-11,13H2,1-2H3,(H,24,25)
InChIKeyDBOUQLLFNFIQJY-UHFFFAOYSA-N
XLogP2.44
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(5-acetyl-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 8-(5-acetyl-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 56909759) is 8-(5-acetyl-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 8-(5-acetyl-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 8-(5-acetyl-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CCCN1CC2(CCN(c3ccc(C(C)=O)cn3)CC2)CC1C(=O)O.
What is the InChIKey of 8-(5-acetyl-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is DBOUQLLFNFIQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-3-8-22-13-19(11-16(22)18(24)25)6-9-21(10-7-19)17-5-4-15(12-20-17)14(2)23/h4-5,12,16H,3,6-11,13H2,1-2H3,(H,24,25).
What are the key properties of 8-(5-acetyl-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
8-(5-acetyl-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 345.44 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-acetyl-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 56909759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).