N-(2-oxochromen-6-yl)piperidine-3-carboxamide;hydrochloride

C15H17ClN2O3 — CID 119300608

IUPACN-(2-oxochromen-6-yl)piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc2oc(=O)ccc2c1)C1CCCNC1
InChIInChI=1S/C15H16N2O3.ClH/c18-14-6-3-10-8-12(4-5-13(10)20-14)17-15(19)11-2-1-7-16-9-11;/h3-6,8,11,16H,1-2,7,9H2,(H,17,19);1H
InChIKeyOYLJLSBIAJPGIM-UHFFFAOYSA-N
MW308.76 g/mol
LogP2.15
Rot. Bonds2

About N-(2-oxochromen-6-yl)piperidine-3-carboxamide;hydrochloride

N-(2-oxochromen-6-yl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119300608) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.76 g/mol. Its IUPAC name is N-(2-oxochromen-6-yl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-oxochromen-6-yl)piperidine-3-carboxamide;hydrochloride
PubChem CID119300608
Molecular FormulaC15H17ClN2O3
Molecular Weight308.76 g/mol
Exact Mass308.09
IUPAC NameN-(2-oxochromen-6-yl)piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc2oc(=O)ccc2c1)C1CCCNC1
InChIInChI=1S/C15H16N2O3.ClH/c18-14-6-3-10-8-12(4-5-13(10)20-14)17-15(19)11-2-1-7-16-9-11;/h3-6,8,11,16H,1-2,7,9H2,(H,17,19);1H
InChIKeyOYLJLSBIAJPGIM-UHFFFAOYSA-N
XLogP2.15
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-oxochromen-6-yl)morpholine-2-carboxamide
CID 119743887
N-(2-oxochromen-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119743870
N-(1H-indol-5-yl)piperidine-3-carboxamide
CID 61248015
N-(2-methyl-1H-indol-5-yl)piperidine-3-carboxamide;hydrochloride
CID 126777358
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 119726041
N-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 134040472
(3R)-N-(1,3-dihydro-2-benzofuran-5-yl)piperidine-3-carboxamide
CID 114263025
(3R)-N-(1H-indazol-6-yl)piperidine-3-carboxamide
CID 81124265
N-(3-bromo-4-fluorophenyl)piperidine-3-carboxamide;hydrochloride
CID 119281108
N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]piperidine-3-carboxamide;dihydrochloride
CID 119869127
N-(3-iodophenyl)piperidine-3-carboxamide;hydrochloride
CID 119263523
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-3-carboxamide;hydrochloride
CID 119273976

Frequently Asked Questions

What is the IUPAC name of N-(2-oxochromen-6-yl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-oxochromen-6-yl)piperidine-3-carboxamide;hydrochloride (CID 119300608) is N-(2-oxochromen-6-yl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-oxochromen-6-yl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-oxochromen-6-yl)piperidine-3-carboxamide;hydrochloride is Cl.O=C(Nc1ccc2oc(=O)ccc2c1)C1CCCNC1.
What is the InChIKey of N-(2-oxochromen-6-yl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is OYLJLSBIAJPGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3.ClH/c18-14-6-3-10-8-12(4-5-13(10)20-14)17-15(19)11-2-1-7-16-9-11;/h3-6,8,11,16H,1-2,7,9H2,(H,17,19);1H.
What are the key properties of N-(2-oxochromen-6-yl)piperidine-3-carboxamide;hydrochloride?
N-(2-oxochromen-6-yl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 308.76 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxochromen-6-yl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119300608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).