1'-(1-acetylpiperidine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one

C21H26N2O4 — CID 108734267

IUPAC1'-(1-acetylpiperidine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCC(=O)N1CCC(C(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)CC1
InChIInChI=1S/C21H26N2O4/c1-15(24)22-10-6-16(7-11-22)20(26)23-12-8-21(9-13-23)14-18(25)17-4-2-3-5-19(17)27-21/h2-5,16H,6-14H2,1H3
InChIKeyIPQWZOFLFSRGCS-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.27
Rot. Bonds1

About 1'-(1-acetylpiperidine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one

1'-(1-acetylpiperidine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108734267) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1'-(1-acetylpiperidine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(1-acetylpiperidine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108734267
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name1'-(1-acetylpiperidine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCC(=O)N1CCC(C(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)CC1
InChIInChI=1S/C21H26N2O4/c1-15(24)22-10-6-16(7-11-22)20(26)23-12-8-21(9-13-23)14-18(25)17-4-2-3-5-19(17)27-21/h2-5,16H,6-14H2,1H3
InChIKeyIPQWZOFLFSRGCS-UHFFFAOYSA-N
XLogP2.27
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1'-(1-propan-2-ylpiperidine-4-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 97274102
1'-(1-acetylpiperidine-4-carbonyl)-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108739907
1'-(2-methylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260499
1'-(4-butylcyclohexanecarbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585908
N-cyclopentyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 46353341
1'-(2-chlorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260534
1'-(4,5,6,7-tetrahydro-3H-benzimidazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 90640236
1'-(morpholine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 126468398
1'-[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 18573660
2-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoic acid
CID 7260656
methyl 4-(4-oxospiro[3,5-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-carbonyl)piperidine-1-carboxylate
CID 134792117
1-[2-(2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl)propanoyl]piperidine-4-carboxamide
CID 110212788

Frequently Asked Questions

What is the IUPAC name of 1'-(1-acetylpiperidine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(1-acetylpiperidine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 108734267) is 1'-(1-acetylpiperidine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(1-acetylpiperidine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(1-acetylpiperidine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one is CC(=O)N1CCC(C(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)CC1.
What is the InChIKey of 1'-(1-acetylpiperidine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is IPQWZOFLFSRGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-15(24)22-10-6-16(7-11-22)20(26)23-12-8-21(9-13-23)14-18(25)17-4-2-3-5-19(17)27-21/h2-5,16H,6-14H2,1H3.
What are the key properties of 1'-(1-acetylpiperidine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(1-acetylpiperidine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 370.45 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(1-acetylpiperidine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108734267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).