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

C20H23ClN6O3 — CID 171709744

IUPAC4-methyl-2-oxo-6-piperidin-4-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyran-3-carboxamide;hydrochloride
SMILESCc1cc(C2CCNCC2)oc(=O)c1C(=O)NCc1cccc(-c2nn[nH]n2)c1.Cl
InChIInChI=1S/C20H22N6O3.ClH/c1-12-9-16(14-5-7-21-8-6-14)29-20(28)17(12)19(27)22-11-13-3-2-4-15(10-13)18-23-25-26-24-18;/h2-4,9-10,14,21H,5-8,11H2,1H3,(H,22,27)(H,23,24,25,26);1H
InChIKeyRFTKPZOOVPLQTG-UHFFFAOYSA-N
MW430.90 g/mol
LogP1.95
Rot. Bonds5

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

4-methyl-2-oxo-6-piperidin-4-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyran-3-carboxamide;hydrochloride (PubChem CID 171709744) has the molecular formula C20H23ClN6O3 and a molecular weight of 430.90 g/mol. Its IUPAC name is 4-methyl-2-oxo-6-piperidin-4-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyran-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-methyl-2-oxo-6-piperidin-4-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyran-3-carboxamide;hydrochloride
PubChem CID171709744
Molecular FormulaC20H23ClN6O3
Molecular Weight430.90 g/mol
Exact Mass430.15
IUPAC Name4-methyl-2-oxo-6-piperidin-4-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyran-3-carboxamide;hydrochloride
SMILESCc1cc(C2CCNCC2)oc(=O)c1C(=O)NCc1cccc(-c2nn[nH]n2)c1.Cl
InChIInChI=1S/C20H22N6O3.ClH/c1-12-9-16(14-5-7-21-8-6-14)29-20(28)17(12)19(27)22-11-13-3-2-4-15(10-13)18-23-25-26-24-18;/h2-4,9-10,14,21H,5-8,11H2,1H3,(H,22,27)(H,23,24,25,26);1H
InChIKeyRFTKPZOOVPLQTG-UHFFFAOYSA-N
XLogP1.95
TPSA125.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.90
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-methyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride
CID 171710954
N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide
CID 91764192
4-methyl-N-(1-methylindazol-3-yl)-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride
CID 171711229
4-methyl-N-(2-methylbenzotriazol-4-yl)-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride
CID 171709128
N-(5-fluoro-2-pyridinyl)-4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride
CID 171713510
6-cyclobutyl-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-4-methyl-2-oxopyran-3-carboxamide
CID 170510643
(1R)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 125447493
N-[(3-chloro-2-pyridinyl)methyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
CID 170505961
1-(oxolane-2-carbonyl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]piperidine-4-carboxamide
CID 91844312
N-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170504651
2-[methyl-[[3-(2H-tetrazol-5-yl)phenyl]methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 124758787
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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-6-piperidin-4-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyran-3-carboxamide;hydrochloride?
The IUPAC name of 4-methyl-2-oxo-6-piperidin-4-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyran-3-carboxamide;hydrochloride (CID 171709744) is 4-methyl-2-oxo-6-piperidin-4-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyran-3-carboxamide;hydrochloride.
What is the SMILES notation for 4-methyl-2-oxo-6-piperidin-4-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyran-3-carboxamide;hydrochloride?
The canonical SMILES for 4-methyl-2-oxo-6-piperidin-4-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyran-3-carboxamide;hydrochloride is Cc1cc(C2CCNCC2)oc(=O)c1C(=O)NCc1cccc(-c2nn[nH]n2)c1.Cl.
What is the InChIKey of 4-methyl-2-oxo-6-piperidin-4-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyran-3-carboxamide;hydrochloride?
The InChIKey is RFTKPZOOVPLQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3.ClH/c1-12-9-16(14-5-7-21-8-6-14)29-20(28)17(12)19(27)22-11-13-3-2-4-15(10-13)18-23-25-26-24-18;/h2-4,9-10,14,21H,5-8,11H2,1H3,(H,22,27)(H,23,24,25,26);1H.
What are the key properties of 4-methyl-2-oxo-6-piperidin-4-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyran-3-carboxamide;hydrochloride?
4-methyl-2-oxo-6-piperidin-4-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyran-3-carboxamide;hydrochloride has a molecular weight of 430.90 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-6-piperidin-4-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyran-3-carboxamide;hydrochloride is sourced from PubChem (CID 171709744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).