N-hydroxy-1'-(4-methyloxane-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-8-carboxamide

C21H28N2O5 — CID 134459911

IUPACN-hydroxy-1'-(4-methyloxane-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-8-carboxamide
SMILESCC1(C(=O)N2CCC3(CCc4cccc(C(=O)NO)c4O3)CC2)CCOCC1
InChIInChI=1S/C21H28N2O5/c1-20(9-13-27-14-10-20)19(25)23-11-7-21(8-12-23)6-5-15-3-2-4-16(17(15)28-21)18(24)22-26/h2-4,26H,5-14H2,1H3,(H,22,24)
InChIKeyMACFALOLYMNNOP-UHFFFAOYSA-N
MW388.46 g/mol
LogP2.31
Rot. Bonds2

About N-hydroxy-1'-(4-methyloxane-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-8-carboxamide

N-hydroxy-1'-(4-methyloxane-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-8-carboxamide (PubChem CID 134459911) has the molecular formula C21H28N2O5 and a molecular weight of 388.46 g/mol. Its IUPAC name is N-hydroxy-1'-(4-methyloxane-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-8-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1'-(4-methyloxane-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-8-carboxamide
PubChem CID134459911
Molecular FormulaC21H28N2O5
Molecular Weight388.46 g/mol
Exact Mass388.20
IUPAC NameN-hydroxy-1'-(4-methyloxane-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-8-carboxamide
SMILESCC1(C(=O)N2CCC3(CCc4cccc(C(=O)NO)c4O3)CC2)CCOCC1
InChIInChI=1S/C21H28N2O5/c1-20(9-13-27-14-10-20)19(25)23-11-7-21(8-12-23)6-5-15-3-2-4-16(17(15)28-21)18(24)22-26/h2-4,26H,5-14H2,1H3,(H,22,24)
InChIKeyMACFALOLYMNNOP-UHFFFAOYSA-N
XLogP2.31
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1'-(4-methyloxane-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-8-carboxamide?
The IUPAC name of N-hydroxy-1'-(4-methyloxane-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-8-carboxamide (CID 134459911) is N-hydroxy-1'-(4-methyloxane-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-8-carboxamide.
What is the SMILES notation for N-hydroxy-1'-(4-methyloxane-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-8-carboxamide?
The canonical SMILES for N-hydroxy-1'-(4-methyloxane-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-8-carboxamide is CC1(C(=O)N2CCC3(CCc4cccc(C(=O)NO)c4O3)CC2)CCOCC1.
What is the InChIKey of N-hydroxy-1'-(4-methyloxane-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-8-carboxamide?
The InChIKey is MACFALOLYMNNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5/c1-20(9-13-27-14-10-20)19(25)23-11-7-21(8-12-23)6-5-15-3-2-4-16(17(15)28-21)18(24)22-26/h2-4,26H,5-14H2,1H3,(H,22,24).
What are the key properties of N-hydroxy-1'-(4-methyloxane-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-8-carboxamide?
N-hydroxy-1'-(4-methyloxane-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-8-carboxamide has a molecular weight of 388.46 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1'-(4-methyloxane-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-8-carboxamide is sourced from PubChem (CID 134459911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).