4-methyl-2-oxo-N-(2-phenylmethoxyethyl)-6-piperidin-3-ylpyran-3-carboxamide

C21H26N2O4 — CID 170512267

IUPAC4-methyl-2-oxo-N-(2-phenylmethoxyethyl)-6-piperidin-3-ylpyran-3-carboxamide
SMILESCc1cc(C2CCCNC2)oc(=O)c1C(=O)NCCOCc1ccccc1
InChIInChI=1S/C21H26N2O4/c1-15-12-18(17-8-5-9-22-13-17)27-21(25)19(15)20(24)23-10-11-26-14-16-6-3-2-4-7-16/h2-4,6-7,12,17,22H,5,8-11,13-14H2,1H3,(H,23,24)
InChIKeyOOXJHZHGFDMXLQ-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.36
Rot. Bonds7

About 4-methyl-2-oxo-N-(2-phenylmethoxyethyl)-6-piperidin-3-ylpyran-3-carboxamide

4-methyl-2-oxo-N-(2-phenylmethoxyethyl)-6-piperidin-3-ylpyran-3-carboxamide (PubChem CID 170512267) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 4-methyl-2-oxo-N-(2-phenylmethoxyethyl)-6-piperidin-3-ylpyran-3-carboxamide.

Molecular Properties

Compound Name4-methyl-2-oxo-N-(2-phenylmethoxyethyl)-6-piperidin-3-ylpyran-3-carboxamide
PubChem CID170512267
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name4-methyl-2-oxo-N-(2-phenylmethoxyethyl)-6-piperidin-3-ylpyran-3-carboxamide
SMILESCc1cc(C2CCCNC2)oc(=O)c1C(=O)NCCOCc1ccccc1
InChIInChI=1S/C21H26N2O4/c1-15-12-18(17-8-5-9-22-13-17)27-21(25)19(15)20(24)23-10-11-26-14-16-6-3-2-4-7-16/h2-4,6-7,12,17,22H,5,8-11,13-14H2,1H3,(H,23,24)
InChIKeyOOXJHZHGFDMXLQ-UHFFFAOYSA-N
XLogP2.36
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenylmethoxyethyl)-4-[(3S)-piperidin-3-yl]benzamide
CID 99928855
4-methyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride
CID 171710954
N-[2-(3,5-dimethyl-2-pyridinyl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170507480
methyl 3-[(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)amino]cyclobutane-1-carboxylate
CID 170507450
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-(1H-benzimidazol-2-ylmethyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170513093
N-(4-butoxyphenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170510382
4-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride
CID 171710778
N-(4-ethyl-2-pyridinyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170504297
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride
CID 171710142
N-(3-hydroxy-2-pyridinyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170509910

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-N-(2-phenylmethoxyethyl)-6-piperidin-3-ylpyran-3-carboxamide?
The IUPAC name of 4-methyl-2-oxo-N-(2-phenylmethoxyethyl)-6-piperidin-3-ylpyran-3-carboxamide (CID 170512267) is 4-methyl-2-oxo-N-(2-phenylmethoxyethyl)-6-piperidin-3-ylpyran-3-carboxamide.
What is the SMILES notation for 4-methyl-2-oxo-N-(2-phenylmethoxyethyl)-6-piperidin-3-ylpyran-3-carboxamide?
The canonical SMILES for 4-methyl-2-oxo-N-(2-phenylmethoxyethyl)-6-piperidin-3-ylpyran-3-carboxamide is Cc1cc(C2CCCNC2)oc(=O)c1C(=O)NCCOCc1ccccc1.
What is the InChIKey of 4-methyl-2-oxo-N-(2-phenylmethoxyethyl)-6-piperidin-3-ylpyran-3-carboxamide?
The InChIKey is OOXJHZHGFDMXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-15-12-18(17-8-5-9-22-13-17)27-21(25)19(15)20(24)23-10-11-26-14-16-6-3-2-4-7-16/h2-4,6-7,12,17,22H,5,8-11,13-14H2,1H3,(H,23,24).
What are the key properties of 4-methyl-2-oxo-N-(2-phenylmethoxyethyl)-6-piperidin-3-ylpyran-3-carboxamide?
4-methyl-2-oxo-N-(2-phenylmethoxyethyl)-6-piperidin-3-ylpyran-3-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-N-(2-phenylmethoxyethyl)-6-piperidin-3-ylpyran-3-carboxamide is sourced from PubChem (CID 170512267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).