N-(5-chloro-2-pyridinyl)-2-oxo-2-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylacetamide

C19H18ClN3O3 — CID 139295389

IUPACN-(5-chloro-2-pyridinyl)-2-oxo-2-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylacetamide
SMILESO=C(Nc1ccc(Cl)cn1)C(=O)N1CCC2(CC1)COc1ccccc12
InChIInChI=1S/C19H18ClN3O3/c20-13-5-6-16(21-11-13)22-17(24)18(25)23-9-7-19(8-10-23)12-26-15-4-2-1-3-14(15)19/h1-6,11H,7-10,12H2,(H,21,22,24)
InChIKeyFJFWKJSEROVQOM-UHFFFAOYSA-N
MW371.82 g/mol
LogP2.63
Rot. Bonds1

About N-(5-chloro-2-pyridinyl)-2-oxo-2-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylacetamide

N-(5-chloro-2-pyridinyl)-2-oxo-2-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylacetamide (PubChem CID 139295389) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-oxo-2-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-oxo-2-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylacetamide
PubChem CID139295389
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC NameN-(5-chloro-2-pyridinyl)-2-oxo-2-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylacetamide
SMILESO=C(Nc1ccc(Cl)cn1)C(=O)N1CCC2(CC1)COc1ccccc12
InChIInChI=1S/C19H18ClN3O3/c20-13-5-6-16(21-11-13)22-17(24)18(25)23-9-7-19(8-10-23)12-26-15-4-2-1-3-14(15)19/h1-6,11H,7-10,12H2,(H,21,22,24)
InChIKeyFJFWKJSEROVQOM-UHFFFAOYSA-N
XLogP2.63
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-(4-naphthalen-1-ylpiperidin-1-yl)-2-oxoacetamide
CID 138687757
7-(benzylamino)-6-(spiro[2H-1-benzofuran-3,4'-piperidine]-1'-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 67541071
2-[(5-chloro-2-pyridinyl)amino]-2-oxoacetyl chloride
CID 152602540
1-[2-(spiro[2H-1-benzofuran-3,4'-piperidine]-1'-carbonyl)azetidin-1-yl]prop-2-en-1-one
CID 172888989
N-(1-benzoylpiperidin-4-yl)-N'-(5-chloro-2-pyridinyl)oxamide
CID 142691795
N'-(5-chloro-2-pyridinyl)oxamide;hydrochloride
CID 22934756
N-(5-chloro-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43044046
1-[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-2-(4-chlorophenyl)prop-2-en-1-one
CID 67279622
4-N-(5-chloro-2-pyridinyl)-1-N-(2-fluorophenyl)piperidine-1,4-dicarboxamide
CID 47065712
2-(4-benzoyl-1,4-diazepan-1-yl)-N-(5-chloro-2-pyridinyl)acetamide
CID 86923565
(3,5-dimethyl-2,3-dihydro-1H-indol-2-yl)-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylmethanone
CID 70879126
4-N-(5-chloro-2-pyridinyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 51180162

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-oxo-2-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylacetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-oxo-2-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylacetamide (CID 139295389) is N-(5-chloro-2-pyridinyl)-2-oxo-2-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylacetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-oxo-2-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylacetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-oxo-2-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylacetamide is O=C(Nc1ccc(Cl)cn1)C(=O)N1CCC2(CC1)COc1ccccc12.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-oxo-2-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylacetamide?
The InChIKey is FJFWKJSEROVQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c20-13-5-6-16(21-11-13)22-17(24)18(25)23-9-7-19(8-10-23)12-26-15-4-2-1-3-14(15)19/h1-6,11H,7-10,12H2,(H,21,22,24).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-oxo-2-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylacetamide?
N-(5-chloro-2-pyridinyl)-2-oxo-2-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylacetamide has a molecular weight of 371.82 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-oxo-2-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylacetamide is sourced from PubChem (CID 139295389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).