2-(1'-cyclopentyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide

C21H26N2O4 — CID 172692389

IUPAC2-(1'-cyclopentyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide
SMILESC=C(C(=O)NO)c1ccc2c(c1)C(=O)CC1(CCN(C3CCCC3)CC1)O2
InChIInChI=1S/C21H26N2O4/c1-14(20(25)22-26)15-6-7-19-17(12-15)18(24)13-21(27-19)8-10-23(11-9-21)16-4-2-3-5-16/h6-7,12,16,26H,1-5,8-11,13H2,(H,22,25)
InChIKeyBVVXDABWPHAAKU-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.95
Rot. Bonds3

About 2-(1'-cyclopentyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide

2-(1'-cyclopentyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide (PubChem CID 172692389) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-(1'-cyclopentyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name2-(1'-cyclopentyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide
PubChem CID172692389
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name2-(1'-cyclopentyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide
SMILESC=C(C(=O)NO)c1ccc2c(c1)C(=O)CC1(CCN(C3CCCC3)CC1)O2
InChIInChI=1S/C21H26N2O4/c1-14(20(25)22-26)15-6-7-19-17(12-15)18(24)13-21(27-19)8-10-23(11-9-21)16-4-2-3-5-16/h6-7,12,16,26H,1-5,8-11,13H2,(H,22,25)
InChIKeyBVVXDABWPHAAKU-UHFFFAOYSA-N
XLogP2.95
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-cyclohexyl-5-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)isoindole-1,3-dione
CID 108757572
1'-cyclohexyl-N-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-7-carboxamide
CID 122619555
4-oxospiro[3H-chromene-2,4'-piperidine]-1',6-dicarboxylic acid
CID 66782544
methyl 4-oxospiro[3H-chromene-2,1'-cyclopentane]-6-carboxylate
CID 58407044
4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-carboxylic acid
CID 69076469
6-(pyrrolidine-1-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 69076705
N-cyclopentyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 46353341
N-cyclopentyl-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108793143
N-cyclohexyl-6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbothioamide
CID 108781778
4-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-N-(oxan-4-yl)benzamide
CID 58199268
1'-benzoyl-6-bromospiro[3H-chromene-2,4'-piperidine]-4-one
CID 44770141
6-chloro-1'-prop-1-en-2-ylspiro[3H-chromene-2,4'-azepane]-4-one;ethane;methylcyclohexane
CID 143498134

Frequently Asked Questions

What is the IUPAC name of 2-(1'-cyclopentyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide?
The IUPAC name of 2-(1'-cyclopentyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide (CID 172692389) is 2-(1'-cyclopentyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide.
What is the SMILES notation for 2-(1'-cyclopentyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide?
The canonical SMILES for 2-(1'-cyclopentyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide is C=C(C(=O)NO)c1ccc2c(c1)C(=O)CC1(CCN(C3CCCC3)CC1)O2.
What is the InChIKey of 2-(1'-cyclopentyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide?
The InChIKey is BVVXDABWPHAAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-14(20(25)22-26)15-6-7-19-17(12-15)18(24)13-21(27-19)8-10-23(11-9-21)16-4-2-3-5-16/h6-7,12,16,26H,1-5,8-11,13H2,(H,22,25).
What are the key properties of 2-(1'-cyclopentyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide?
2-(1'-cyclopentyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide has a molecular weight of 370.45 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1'-cyclopentyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide is sourced from PubChem (CID 172692389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).