1-(3-oxobenzo[f]chromene-2-carbonyl)piperidine-4-carboxamide

C20H18N2O4 — CID 19132814

IUPAC1-(3-oxobenzo[f]chromene-2-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cc3c(ccc4ccccc43)oc2=O)CC1
InChIInChI=1S/C20H18N2O4/c21-18(23)13-7-9-22(10-8-13)19(24)16-11-15-14-4-2-1-3-12(14)5-6-17(15)26-20(16)25/h1-6,11,13H,7-10H2,(H2,21,23)
InChIKeyHYFJPWORVLQCGQ-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.28
Rot. Bonds2

About 1-(3-oxobenzo[f]chromene-2-carbonyl)piperidine-4-carboxamide

1-(3-oxobenzo[f]chromene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 19132814) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 1-(3-oxobenzo[f]chromene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-oxobenzo[f]chromene-2-carbonyl)piperidine-4-carboxamide
PubChem CID19132814
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name1-(3-oxobenzo[f]chromene-2-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cc3c(ccc4ccccc43)oc2=O)CC1
InChIInChI=1S/C20H18N2O4/c21-18(23)13-7-9-22(10-8-13)19(24)16-11-15-14-4-2-1-3-12(14)5-6-17(15)26-20(16)25/h1-6,11,13H,7-10H2,(H2,21,23)
InChIKeyHYFJPWORVLQCGQ-UHFFFAOYSA-N
XLogP2.28
TPSA93.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dimethylpiperidine-1-carbonyl)benzo[f]chromen-3-one
CID 16645671
2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]benzo[f]chromen-3-one
CID 19132811
N-methyl-N-(1-methylpiperidin-4-yl)-3-oxobenzo[f]chromene-2-carboxamide
CID 19154858
N-[4-[4-(3-oxobenzo[f]chromene-2-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 19132942
3-(azepane-1-carbonyl)chromen-2-one
CID 716526
3-(1,4,7,10,13-pentaoxa-16-azacyclooctadecane-16-carbonyl)benzo[h]chromen-2-one
CID 102583180
4-(3-oxobenzo[f]chromene-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 16863949
2-(2,2-dimethylpropanoyl)benzo[f]chromen-3-one
CID 12060597
2-(adamantane-1-carbonyl)benzo[f]chromen-3-one
CID 13067769
3-(4-cyclopropylpiperazine-1-carbonyl)chromen-2-one
CID 86853717
3-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]chromen-2-one
CID 62372877
acetamido-[amino-(3-oxobenzo[f]chromen-2-yl)methylidene]azanium
CID 6989424

Frequently Asked Questions

What is the IUPAC name of 1-(3-oxobenzo[f]chromene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-oxobenzo[f]chromene-2-carbonyl)piperidine-4-carboxamide (CID 19132814) is 1-(3-oxobenzo[f]chromene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-oxobenzo[f]chromene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-oxobenzo[f]chromene-2-carbonyl)piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2cc3c(ccc4ccccc43)oc2=O)CC1.
What is the InChIKey of 1-(3-oxobenzo[f]chromene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is HYFJPWORVLQCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c21-18(23)13-7-9-22(10-8-13)19(24)16-11-15-14-4-2-1-3-12(14)5-6-17(15)26-20(16)25/h1-6,11,13H,7-10H2,(H2,21,23).
What are the key properties of 1-(3-oxobenzo[f]chromene-2-carbonyl)piperidine-4-carboxamide?
1-(3-oxobenzo[f]chromene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 350.37 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-oxobenzo[f]chromene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 19132814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).