1-(6-chloro-2-oxochromene-3-carbonyl)piperidine-3-carboxamide

C16H15ClN2O4 — CID 171387841

IUPAC1-(6-chloro-2-oxochromene-3-carbonyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)c2cc3cc(Cl)ccc3oc2=O)C1
InChIInChI=1S/C16H15ClN2O4/c17-11-3-4-13-10(6-11)7-12(16(22)23-13)15(21)19-5-1-2-9(8-19)14(18)20/h3-4,6-7,9H,1-2,5,8H2,(H2,18,20)
InChIKeyABCFSDSUNNCXGA-UHFFFAOYSA-N
MW334.76 g/mol
LogP1.78
Rot. Bonds2

About 1-(6-chloro-2-oxochromene-3-carbonyl)piperidine-3-carboxamide

1-(6-chloro-2-oxochromene-3-carbonyl)piperidine-3-carboxamide (PubChem CID 171387841) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is 1-(6-chloro-2-oxochromene-3-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-chloro-2-oxochromene-3-carbonyl)piperidine-3-carboxamide
PubChem CID171387841
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC Name1-(6-chloro-2-oxochromene-3-carbonyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)c2cc3cc(Cl)ccc3oc2=O)C1
InChIInChI=1S/C16H15ClN2O4/c17-11-3-4-13-10(6-11)7-12(16(22)23-13)15(21)19-5-1-2-9(8-19)14(18)20/h3-4,6-7,9H,1-2,5,8H2,(H2,18,20)
InChIKeyABCFSDSUNNCXGA-UHFFFAOYSA-N
XLogP1.78
TPSA93.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-3-[3-(1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]chromen-2-one
CID 171911178
(3R)-N-cyclopropyl-1-(2-oxochromene-3-carbonyl)piperidine-3-carboxamide
CID 94352979
3-(azepane-1-carbonyl)chromen-2-one
CID 716526
3-[3-(1-aminoethyl)piperidine-1-carbonyl]chromen-2-one;hydrochloride
CID 119594343
1-(5-chloro-2-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041378
1-(5,6-dichloropyridine-3-carbonyl)piperidine-3-carboxamide
CID 43079586
1-(2-chloro-5-nitrobenzoyl)piperidine-3-carboxamide
CID 43082274
6-chloro-3-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carbonyl]chromen-2-one
CID 171389637
7-hydroxy-3-(piperidine-1-carbonyl)chromen-2-one
CID 122206892
1-(2-bromobenzoyl)piperidine-3-carboxamide
CID 24692766
1-(4-amino-3,5-dichlorobenzoyl)piperidine-3-carboxamide
CID 82832980
1-(2-hydroxy-4-methylbenzoyl)piperidine-3-carboxamide
CID 43176610

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-oxochromene-3-carbonyl)piperidine-3-carboxamide?
The IUPAC name of 1-(6-chloro-2-oxochromene-3-carbonyl)piperidine-3-carboxamide (CID 171387841) is 1-(6-chloro-2-oxochromene-3-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(6-chloro-2-oxochromene-3-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(6-chloro-2-oxochromene-3-carbonyl)piperidine-3-carboxamide is NC(=O)C1CCCN(C(=O)c2cc3cc(Cl)ccc3oc2=O)C1.
What is the InChIKey of 1-(6-chloro-2-oxochromene-3-carbonyl)piperidine-3-carboxamide?
The InChIKey is ABCFSDSUNNCXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4/c17-11-3-4-13-10(6-11)7-12(16(22)23-13)15(21)19-5-1-2-9(8-19)14(18)20/h3-4,6-7,9H,1-2,5,8H2,(H2,18,20).
What are the key properties of 1-(6-chloro-2-oxochromene-3-carbonyl)piperidine-3-carboxamide?
1-(6-chloro-2-oxochromene-3-carbonyl)piperidine-3-carboxamide has a molecular weight of 334.76 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-oxochromene-3-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 171387841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).