N-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide

C19H20ClFN2O3 — CID 170504651

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
SMILESCc1cc(C2CCCNC2)oc(=O)c1C(=O)NCc1c(F)cccc1Cl
InChIInChI=1S/C19H20ClFN2O3/c1-11-8-16(12-4-3-7-22-9-12)26-19(25)17(11)18(24)23-10-13-14(20)5-2-6-15(13)21/h2,5-6,8,12,22H,3-4,7,9-10H2,1H3,(H,23,24)
InChIKeyZHHRGUQFUIDRSA-UHFFFAOYSA-N
MW378.83 g/mol
LogP3.14
Rot. Bonds4

About N-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide

N-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide (PubChem CID 170504651) has the molecular formula C19H20ClFN2O3 and a molecular weight of 378.83 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
PubChem CID170504651
Molecular FormulaC19H20ClFN2O3
Molecular Weight378.83 g/mol
Exact Mass378.11
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
SMILESCc1cc(C2CCCNC2)oc(=O)c1C(=O)NCc1c(F)cccc1Cl
InChIInChI=1S/C19H20ClFN2O3/c1-11-8-16(12-4-3-7-22-9-12)26-19(25)17(11)18(24)23-10-13-14(20)5-2-6-15(13)21/h2,5-6,8,12,22H,3-4,7,9-10H2,1H3,(H,23,24)
InChIKeyZHHRGUQFUIDRSA-UHFFFAOYSA-N
XLogP3.14
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.83
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-Chloro-4-fluorophenyl)methyl]-8-ethoxy-6-oxo-2,3,4,6-tetrahydro-1H-quinolizine-9-carboxamide
CID 91904476
N-[(2-Chloro-4-fluorophenyl)methyl]-8-methoxy-6-oxo-2,3,4,6-tetrahydro-1H-quinolizine-9-carboxamide
CID 91914262
Ethyl 3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-5-methyl-4-oxo-2,3-dihydropyran-6-carboxylate
CID 134377529
N-(2-chloro-6-fluorobenzyl)-4-methyl-2-oxo-6-(4-piperidinyl)-2H-pyran-3-carboxamide hydrochloride
CID 168472870
N-(4-fluorobenzyl)-4-methyl-6-(1-methylbutyl)-2-oxo-2H-pyran-3-carboxamide
CID 169411139
N-(2,3-difluorobenzyl)-4-methyl-6-(1-methylbutyl)-2-oxo-2H-pyran-3-carboxamide
CID 169417361
N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-6-(3-piperidinyl)-2H-pyran-3-carboxamide acetate
CID 170502676
N-(2-chloro-6-fluorobenzyl)-4-methyl-2-oxo-6-(tetrahydro-2-furanyl)-2H-pyran-3-carboxamide
CID 170503035
N-(3,4-difluorobenzyl)-4-methyl-2-oxo-6-(3-piperidinyl)-2H-pyran-3-carboxamide acetate
CID 170505407
N-[1-(4-fluorobenzyl)-4-piperidinyl]-4-methyl-6-(1-methylbutyl)-2-oxo-2H-pyran-3-carboxamide
CID 170505714
N-(4-chloro-2-fluorophenyl)-4-methyl-2-oxo-6-(3-piperidinyl)-2H-pyran-3-carboxamide hydrochloride
CID 170508555
3-{[4-(3,4-difluorobenzyl)-1-piperazinyl]carbonyl}-4-methyl-6-(3-piperidinyl)-2H-pyran-2-one
CID 170509769

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide (CID 170504651) is N-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide is Cc1cc(C2CCCNC2)oc(=O)c1C(=O)NCc1c(F)cccc1Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide?
The InChIKey is ZHHRGUQFUIDRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O3/c1-11-8-16(12-4-3-7-22-9-12)26-19(25)17(11)18(24)23-10-13-14(20)5-2-6-15(13)21/h2,5-6,8,12,22H,3-4,7,9-10H2,1H3,(H,23,24).
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide?
N-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide has a molecular weight of 378.83 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide is sourced from PubChem (CID 170504651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).