N-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)formamide

C14H16N2O3 — CID 54242450

IUPACN-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)formamide
SMILESO=CNN1CCC2(CC1)CC(=O)c1ccccc1O2
InChIInChI=1S/C14H16N2O3/c17-10-15-16-7-5-14(6-8-16)9-12(18)11-3-1-2-4-13(11)19-14/h1-4,10H,5-9H2,(H,15,17)
InChIKeyQQYUVZGXPARUCT-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.15
Rot. Bonds2

About N-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)formamide

N-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)formamide (PubChem CID 54242450) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)formamide.

Molecular Properties

Compound NameN-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)formamide
PubChem CID54242450
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)formamide
SMILESO=CNN1CCC2(CC1)CC(=O)c1ccccc1O2
InChIInChI=1S/C14H16N2O3/c17-10-15-16-7-5-14(6-8-16)9-12(18)11-3-1-2-4-13(11)19-14/h1-4,10H,5-9H2,(H,15,17)
InChIKeyQQYUVZGXPARUCT-UHFFFAOYSA-N
XLogP1.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methylspiro[2H-1-benzopyran-2,4'-piperidine]4(3H)-one
CID 1233903
Spiro(1-benzopyran-2,4'-piperidin)-4(3H)-one--hydrogen chloride (1/1)
CID 2771097
6-methyl-4-oxo-N-propylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 45488460
(E)-N-hydroxy-3-(4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)prop-2-enamide
CID 44240793
(E)-N-hydroxy-3-(4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)prop-2-enamide
CID 44253363
Spiro(chroman-2,4'-piperidin)-4-one
CID 2050002
4-oxo-N-propylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 45489156
Tert-butyl 4-oxo-3,4-dihydrospiro[1-benzopyran-2,4'-piperidine]-1'-carboxylate
CID 40427565
2-methoxy-N-piperidin-1-ylbenzamide
CID 16733140
1'-(cyclohexylmethyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 134791618
1'-(cyclopropylmethyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 134793070
Ethyl 4-oxo-3,4-dihydrospiro[1-benzopyran-2,4'-piperidine]-1'-carboxylate
CID 2427313

Frequently Asked Questions

What is the IUPAC name of N-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)formamide?
The IUPAC name of N-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)formamide (CID 54242450) is N-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)formamide.
What is the SMILES notation for N-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)formamide?
The canonical SMILES for N-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)formamide is O=CNN1CCC2(CC1)CC(=O)c1ccccc1O2.
What is the InChIKey of N-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)formamide?
The InChIKey is QQYUVZGXPARUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-10-15-16-7-5-14(6-8-16)9-12(18)11-3-1-2-4-13(11)19-14/h1-4,10H,5-9H2,(H,15,17).
What are the key properties of N-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)formamide?
N-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)formamide has a molecular weight of 260.29 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)formamide is sourced from PubChem (CID 54242450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).