3-(piperidine-1-carbonyl)chromen-2-one

C15H15NO3 — CID 28913

IUPAC3-(piperidine-1-carbonyl)chromen-2-one
SMILESO=C(c1cc2ccccc2oc1=O)N1CCCCC1
InChIInChI=1S/C15H15NO3/c17-14(16-8-4-1-5-9-16)12-10-11-6-2-3-7-13(11)19-15(12)18/h2-3,6-7,10H,1,4-5,8-9H2
InChIKeyRPDYHHVRQGESJA-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.42
Rot. Bonds1

About 3-(piperidine-1-carbonyl)chromen-2-one

3-(piperidine-1-carbonyl)chromen-2-one (PubChem CID 28913) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-(piperidine-1-carbonyl)chromen-2-one.

Molecular Properties

Compound Name3-(piperidine-1-carbonyl)chromen-2-one
PubChem CID28913
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name3-(piperidine-1-carbonyl)chromen-2-one
SMILESO=C(c1cc2ccccc2oc1=O)N1CCCCC1
InChIInChI=1S/C15H15NO3/c17-14(16-8-4-1-5-9-16)12-10-11-6-2-3-7-13(11)19-15(12)18/h2-3,6-7,10H,1,4-5,8-9H2
InChIKeyRPDYHHVRQGESJA-UHFFFAOYSA-N
XLogP2.42
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Oxo-N-(phenylmethyl)-2H-1-benzopyran-3-carboxamide
CID 120587
2-oxo-N-(2-phenylethyl)-2H-chromene-3-carboxamide
CID 728535
3-(4-Morpholinylcarbonyl)-2H-1-benzopyran-2-one
CID 28914
N-cyclohexyl-2-oxo-2H-chromene-3-carboxamide
CID 724217
4-Piperidin-1-yl-chromen-2-one
CID 686127
2H-1-Benzopyran-3-carboxamide, N,N'-1,4-butanediylbis[2-oxo-
CID 3559465
2-oxo-N-(1-phenylethyl)-2H-chromene-3-carboxamide
CID 2788317
N,N'-Ethylenebis(3-coumarincarboxamide)
CID 599283
Coumarin, 3-(1-pyrrolidinylcarbonyl)-
CID 28912
2-Oxo-2H-1-benzopyran-3-carboxamide
CID 120586
3-(4-Benzoylpiperazine-1-carbonyl)coumarin
CID 1143426
N-isobutyl-2-oxo-2H-chromene-3-carboxamide
CID 823440

Frequently Asked Questions

What is the IUPAC name of 3-(piperidine-1-carbonyl)chromen-2-one?
The IUPAC name of 3-(piperidine-1-carbonyl)chromen-2-one (CID 28913) is 3-(piperidine-1-carbonyl)chromen-2-one.
What is the SMILES notation for 3-(piperidine-1-carbonyl)chromen-2-one?
The canonical SMILES for 3-(piperidine-1-carbonyl)chromen-2-one is O=C(c1cc2ccccc2oc1=O)N1CCCCC1.
What is the InChIKey of 3-(piperidine-1-carbonyl)chromen-2-one?
The InChIKey is RPDYHHVRQGESJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c17-14(16-8-4-1-5-9-16)12-10-11-6-2-3-7-13(11)19-15(12)18/h2-3,6-7,10H,1,4-5,8-9H2.
What are the key properties of 3-(piperidine-1-carbonyl)chromen-2-one?
3-(piperidine-1-carbonyl)chromen-2-one has a molecular weight of 257.29 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidine-1-carbonyl)chromen-2-one is sourced from PubChem (CID 28913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).