N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride

C22H27ClN2O4 — CID 171709461

IUPACN-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride
SMILESCc1cc(C2CCNCC2)oc(=O)c1C(=O)NCC1COc2ccccc2C1.Cl
InChIInChI=1S/C22H26N2O4.ClH/c1-14-10-19(16-6-8-23-9-7-16)28-22(26)20(14)21(25)24-12-15-11-17-4-2-3-5-18(17)27-13-15;/h2-5,10,15-16,23H,6-9,11-13H2,1H3,(H,24,25);1H
InChIKeyABTLPQPIRPSKED-UHFFFAOYSA-N
MW418.92 g/mol
LogP2.82
Rot. Bonds4

About N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride

N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride (PubChem CID 171709461) has the molecular formula C22H27ClN2O4 and a molecular weight of 418.92 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride
PubChem CID171709461
Molecular FormulaC22H27ClN2O4
Molecular Weight418.92 g/mol
Exact Mass418.17
IUPAC NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride
SMILESCc1cc(C2CCNCC2)oc(=O)c1C(=O)NCC1COc2ccccc2C1.Cl
InChIInChI=1S/C22H26N2O4.ClH/c1-14-10-19(16-6-8-23-9-7-16)28-22(26)20(14)21(25)24-12-15-11-17-4-2-3-5-18(17)27-13-15;/h2-5,10,15-16,23H,6-9,11-13H2,1H3,(H,24,25);1H
InChIKeyABTLPQPIRPSKED-UHFFFAOYSA-N
XLogP2.82
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.92
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride?
The IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride (CID 171709461) is N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride is Cc1cc(C2CCNCC2)oc(=O)c1C(=O)NCC1COc2ccccc2C1.Cl.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride?
The InChIKey is ABTLPQPIRPSKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4.ClH/c1-14-10-19(16-6-8-23-9-7-16)28-22(26)20(14)21(25)24-12-15-11-17-4-2-3-5-18(17)27-13-15;/h2-5,10,15-16,23H,6-9,11-13H2,1H3,(H,24,25);1H.
What are the key properties of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride?
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride has a molecular weight of 418.92 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride is sourced from PubChem (CID 171709461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).