10-[(4-chloro-2-oxo-1-pyridinyl)methyl]-7-azaspiro[4.5]decane-7-carboxylic acid

C16H21ClN2O3 — CID 175786582

IUPAC10-[(4-chloro-2-oxo-1-pyridinyl)methyl]-7-azaspiro[4.5]decane-7-carboxylic acid
SMILESO=C(O)N1CCC(Cn2ccc(Cl)cc2=O)C2(CCCC2)C1
InChIInChI=1S/C16H21ClN2O3/c17-13-4-8-18(14(20)9-13)10-12-3-7-19(15(21)22)11-16(12)5-1-2-6-16/h4,8-9,12H,1-3,5-7,10-11H2,(H,21,22)
InChIKeyVIBIKERVIHPBEJ-UHFFFAOYSA-N
MW324.81 g/mol
LogP3.06
Rot. Bonds2

About 10-[(4-chloro-2-oxo-1-pyridinyl)methyl]-7-azaspiro[4.5]decane-7-carboxylic acid

10-[(4-chloro-2-oxo-1-pyridinyl)methyl]-7-azaspiro[4.5]decane-7-carboxylic acid (PubChem CID 175786582) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is 10-[(4-chloro-2-oxo-1-pyridinyl)methyl]-7-azaspiro[4.5]decane-7-carboxylic acid.

Molecular Properties

Compound Name10-[(4-chloro-2-oxo-1-pyridinyl)methyl]-7-azaspiro[4.5]decane-7-carboxylic acid
PubChem CID175786582
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC Name10-[(4-chloro-2-oxo-1-pyridinyl)methyl]-7-azaspiro[4.5]decane-7-carboxylic acid
SMILESO=C(O)N1CCC(Cn2ccc(Cl)cc2=O)C2(CCCC2)C1
InChIInChI=1S/C16H21ClN2O3/c17-13-4-8-18(14(20)9-13)10-12-3-7-19(15(21)22)11-16(12)5-1-2-6-16/h4,8-9,12H,1-3,5-7,10-11H2,(H,21,22)
InChIKeyVIBIKERVIHPBEJ-UHFFFAOYSA-N
XLogP3.06
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-[(4-chloro-2-oxo-1-pyridinyl)methyl]-7-azaspiro[4.5]decane-7-carboxylic acid?
The IUPAC name of 10-[(4-chloro-2-oxo-1-pyridinyl)methyl]-7-azaspiro[4.5]decane-7-carboxylic acid (CID 175786582) is 10-[(4-chloro-2-oxo-1-pyridinyl)methyl]-7-azaspiro[4.5]decane-7-carboxylic acid.
What is the SMILES notation for 10-[(4-chloro-2-oxo-1-pyridinyl)methyl]-7-azaspiro[4.5]decane-7-carboxylic acid?
The canonical SMILES for 10-[(4-chloro-2-oxo-1-pyridinyl)methyl]-7-azaspiro[4.5]decane-7-carboxylic acid is O=C(O)N1CCC(Cn2ccc(Cl)cc2=O)C2(CCCC2)C1.
What is the InChIKey of 10-[(4-chloro-2-oxo-1-pyridinyl)methyl]-7-azaspiro[4.5]decane-7-carboxylic acid?
The InChIKey is VIBIKERVIHPBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c17-13-4-8-18(14(20)9-13)10-12-3-7-19(15(21)22)11-16(12)5-1-2-6-16/h4,8-9,12H,1-3,5-7,10-11H2,(H,21,22).
What are the key properties of 10-[(4-chloro-2-oxo-1-pyridinyl)methyl]-7-azaspiro[4.5]decane-7-carboxylic acid?
10-[(4-chloro-2-oxo-1-pyridinyl)methyl]-7-azaspiro[4.5]decane-7-carboxylic acid has a molecular weight of 324.81 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(4-chloro-2-oxo-1-pyridinyl)methyl]-7-azaspiro[4.5]decane-7-carboxylic acid is sourced from PubChem (CID 175786582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).