8-[2-(2-oxo-1-pyridinyl)acetyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C19H27N3O4 — CID 70740357

IUPAC8-[2-(2-oxo-1-pyridinyl)acetyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCCCN1CC2(CCN(C(=O)Cn3ccccc3=O)CC2)CC1C(=O)O
InChIInChI=1S/C19H27N3O4/c1-2-8-22-14-19(12-15(22)18(25)26)6-10-20(11-7-19)17(24)13-21-9-4-3-5-16(21)23/h3-5,9,15H,2,6-8,10-14H2,1H3,(H,25,26)
InChIKeyKMJQLBDJTVNARK-UHFFFAOYSA-N
MW361.44 g/mol
LogP1.03
Rot. Bonds5

About 8-[2-(2-oxo-1-pyridinyl)acetyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

8-[2-(2-oxo-1-pyridinyl)acetyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 70740357) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 8-[2-(2-oxo-1-pyridinyl)acetyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name8-[2-(2-oxo-1-pyridinyl)acetyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID70740357
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name8-[2-(2-oxo-1-pyridinyl)acetyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCCCN1CC2(CCN(C(=O)Cn3ccccc3=O)CC2)CC1C(=O)O
InChIInChI=1S/C19H27N3O4/c1-2-8-22-14-19(12-15(22)18(25)26)6-10-20(11-7-19)17(24)13-21-9-4-3-5-16(21)23/h3-5,9,15H,2,6-8,10-14H2,1H3,(H,25,26)
InChIKeyKMJQLBDJTVNARK-UHFFFAOYSA-N
XLogP1.03
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(2-oxo-1-pyridinyl)acetyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 8-[2-(2-oxo-1-pyridinyl)acetyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 70740357) is 8-[2-(2-oxo-1-pyridinyl)acetyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 8-[2-(2-oxo-1-pyridinyl)acetyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 8-[2-(2-oxo-1-pyridinyl)acetyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CCCN1CC2(CCN(C(=O)Cn3ccccc3=O)CC2)CC1C(=O)O.
What is the InChIKey of 8-[2-(2-oxo-1-pyridinyl)acetyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is KMJQLBDJTVNARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-2-8-22-14-19(12-15(22)18(25)26)6-10-20(11-7-19)17(24)13-21-9-4-3-5-16(21)23/h3-5,9,15H,2,6-8,10-14H2,1H3,(H,25,26).
What are the key properties of 8-[2-(2-oxo-1-pyridinyl)acetyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
8-[2-(2-oxo-1-pyridinyl)acetyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 361.44 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(2-oxo-1-pyridinyl)acetyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 70740357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).