N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)formamide

C15H20N2O2 — CID 4832586

IUPACN-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)formamide
SMILESCN1CCC2(CC1)CC(NC=O)c1ccccc1O2
InChIInChI=1S/C15H20N2O2/c1-17-8-6-15(7-9-17)10-13(16-11-18)12-4-2-3-5-14(12)19-15/h2-5,11,13H,6-10H2,1H3,(H,16,18)
InChIKeyISPACVVZRNDVLR-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.72
Rot. Bonds2

About N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)formamide

N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)formamide (PubChem CID 4832586) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)formamide.

Molecular Properties

Compound NameN-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)formamide
PubChem CID4832586
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)formamide
SMILESCN1CCC2(CC1)CC(NC=O)c1ccccc1O2
InChIInChI=1S/C15H20N2O2/c1-17-8-6-15(7-9-17)10-13(16-11-18)12-4-2-3-5-14(12)19-15/h2-5,11,13H,6-10H2,1H3,(H,16,18)
InChIKeyISPACVVZRNDVLR-UHFFFAOYSA-N
XLogP1.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)formamide?
The IUPAC name of N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)formamide (CID 4832586) is N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)formamide.
What is the SMILES notation for N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)formamide?
The canonical SMILES for N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)formamide is CN1CCC2(CC1)CC(NC=O)c1ccccc1O2.
What is the InChIKey of N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)formamide?
The InChIKey is ISPACVVZRNDVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-17-8-6-15(7-9-17)10-13(16-11-18)12-4-2-3-5-14(12)19-15/h2-5,11,13H,6-10H2,1H3,(H,16,18).
What are the key properties of N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)formamide?
N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)formamide has a molecular weight of 260.34 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)formamide is sourced from PubChem (CID 4832586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).