4-oxo-N-propylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide

C17H22N2O3 — CID 45489156

IUPAC4-oxo-N-propylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
SMILESCCCNC(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2
InChIInChI=1S/C17H22N2O3/c1-2-9-18-16(21)19-10-7-17(8-11-19)12-14(20)13-5-3-4-6-15(13)22-17/h3-6H,2,7-12H2,1H3,(H,18,21)
InChIKeyZPJUXXPMLRAOIL-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.61
Rot. Bonds2

About 4-oxo-N-propylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide

4-oxo-N-propylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide (PubChem CID 45489156) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 4-oxo-N-propylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name4-oxo-N-propylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
PubChem CID45489156
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name4-oxo-N-propylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
SMILESCCCNC(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2
InChIInChI=1S/C17H22N2O3/c1-2-9-18-16(21)19-10-7-17(8-11-19)12-14(20)13-5-3-4-6-15(13)22-17/h3-6H,2,7-12H2,1H3,(H,18,21)
InChIKeyZPJUXXPMLRAOIL-UHFFFAOYSA-N
XLogP2.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-propylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of 4-oxo-N-propylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide (CID 45489156) is 4-oxo-N-propylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 4-oxo-N-propylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 4-oxo-N-propylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide is CCCNC(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2.
What is the InChIKey of 4-oxo-N-propylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide?
The InChIKey is ZPJUXXPMLRAOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-2-9-18-16(21)19-10-7-17(8-11-19)12-14(20)13-5-3-4-6-15(13)22-17/h3-6H,2,7-12H2,1H3,(H,18,21).
What are the key properties of 4-oxo-N-propylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide?
4-oxo-N-propylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-propylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 45489156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).