4-methyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride

C22H25ClN4O3 — CID 171710954

IUPAC4-methyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride
SMILESCc1cc(C2CCCNC2)oc(=O)c1C(=O)NCc1cc(-c2ccccc2)n[nH]1.Cl
InChIInChI=1S/C22H24N4O3.ClH/c1-14-10-19(16-8-5-9-23-12-16)29-22(28)20(14)21(27)24-13-17-11-18(26-25-17)15-6-3-2-4-7-15;/h2-4,6-7,10-11,16,23H,5,8-9,12-13H2,1H3,(H,24,27)(H,25,26);1H
InChIKeyQBQJPXZYDMCSSM-UHFFFAOYSA-N
MW428.92 g/mol
LogP3.16
Rot. Bonds5

About 4-methyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride

4-methyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride (PubChem CID 171710954) has the molecular formula C22H25ClN4O3 and a molecular weight of 428.92 g/mol. Its IUPAC name is 4-methyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-methyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride
PubChem CID171710954
Molecular FormulaC22H25ClN4O3
Molecular Weight428.92 g/mol
Exact Mass428.16
IUPAC Name4-methyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride
SMILESCc1cc(C2CCCNC2)oc(=O)c1C(=O)NCc1cc(-c2ccccc2)n[nH]1.Cl
InChIInChI=1S/C22H24N4O3.ClH/c1-14-10-19(16-8-5-9-23-12-16)29-22(28)20(14)21(27)24-13-17-11-18(26-25-17)15-6-3-2-4-7-15;/h2-4,6-7,10-11,16,23H,5,8-9,12-13H2,1H3,(H,24,27)(H,25,26);1H
InChIKeyQBQJPXZYDMCSSM-UHFFFAOYSA-N
XLogP3.16
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-methyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

4-methyl-2-oxo-6-piperidin-3-yl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyran-3-carboxamide;hydrochloride
CID 171707518
N-(1H-benzimidazol-2-ylmethyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170513093
4-methyl-2-oxo-N-(2-phenylmethoxyethyl)-6-piperidin-3-ylpyran-3-carboxamide
CID 170512267
N-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170504651
4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 169412165
N-methyl-5-[[(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide;hydrochloride
CID 171710788
4-methyl-2-oxo-6-piperidin-3-yl-N-(2,5,6-trimethyl-3-pyridinyl)pyran-3-carboxamide;dihydrochloride
CID 171709033
4-methyl-2-oxo-6-piperidin-3-yl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyran-3-carboxamide;hydrochloride
CID 171707282
4-methyl-2-oxo-6-piperidin-3-yl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyran-3-carboxamide;hydrochloride
CID 171709894
N-[2-(3,5-dimethyl-2-pyridinyl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170507480
N-(3-hydroxy-2-pyridinyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170509910
4-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride
CID 171710778

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride?
The IUPAC name of 4-methyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride (CID 171710954) is 4-methyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride.
What is the SMILES notation for 4-methyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride?
The canonical SMILES for 4-methyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride is Cc1cc(C2CCCNC2)oc(=O)c1C(=O)NCc1cc(-c2ccccc2)n[nH]1.Cl.
What is the InChIKey of 4-methyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride?
The InChIKey is QBQJPXZYDMCSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3.ClH/c1-14-10-19(16-8-5-9-23-12-16)29-22(28)20(14)21(27)24-13-17-11-18(26-25-17)15-6-3-2-4-7-15;/h2-4,6-7,10-11,16,23H,5,8-9,12-13H2,1H3,(H,24,27)(H,25,26);1H.
What are the key properties of 4-methyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride?
4-methyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride has a molecular weight of 428.92 g/mol, XLogP of 3.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride is sourced from PubChem (CID 171710954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).