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

C18H24N2O3 — CID 45488460

IUPAC6-methyl-4-oxo-N-propylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
SMILESCCCNC(=O)N1CCC2(CC1)CC(=O)c1cc(C)ccc1O2
InChIInChI=1S/C18H24N2O3/c1-3-8-19-17(22)20-9-6-18(7-10-20)12-15(21)14-11-13(2)4-5-16(14)23-18/h4-5,11H,3,6-10,12H2,1-2H3,(H,19,22)
InChIKeyYCOUNUYIYMXDLT-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.91
Rot. Bonds2

About 6-methyl-4-oxo-N-propylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide

6-methyl-4-oxo-N-propylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide (PubChem CID 45488460) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-propylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-propylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
PubChem CID45488460
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name6-methyl-4-oxo-N-propylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
SMILESCCCNC(=O)N1CCC2(CC1)CC(=O)c1cc(C)ccc1O2
InChIInChI=1S/C18H24N2O3/c1-3-8-19-17(22)20-9-6-18(7-10-20)12-15(21)14-11-13(2)4-5-16(14)23-18/h4-5,11H,3,6-10,12H2,1-2H3,(H,19,22)
InChIKeyYCOUNUYIYMXDLT-UHFFFAOYSA-N
XLogP2.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-propylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-propylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide (CID 45488460) is 6-methyl-4-oxo-N-propylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-propylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-propylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide is CCCNC(=O)N1CCC2(CC1)CC(=O)c1cc(C)ccc1O2.
What is the InChIKey of 6-methyl-4-oxo-N-propylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide?
The InChIKey is YCOUNUYIYMXDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-3-8-19-17(22)20-9-6-18(7-10-20)12-15(21)14-11-13(2)4-5-16(14)23-18/h4-5,11H,3,6-10,12H2,1-2H3,(H,19,22).
What are the key properties of 6-methyl-4-oxo-N-propylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide?
6-methyl-4-oxo-N-propylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-propylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 45488460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).