N-[2-(diethylamino)ethyl]-N-ethyl-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide

C20H33N3O3 — CID 170511246

IUPACN-[2-(diethylamino)ethyl]-N-ethyl-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
SMILESCCN(CC)CCN(CC)C(=O)c1c(C)cc(C2CCCNC2)oc1=O
InChIInChI=1S/C20H33N3O3/c1-5-22(6-2)11-12-23(7-3)19(24)18-15(4)13-17(26-20(18)25)16-9-8-10-21-14-16/h13,16,21H,5-12,14H2,1-4H3
InChIKeyQPQYACCDOXVVRA-UHFFFAOYSA-N
MW363.50 g/mol
LogP2.22
Rot. Bonds8

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

N-[2-(diethylamino)ethyl]-N-ethyl-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide (PubChem CID 170511246) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-ethyl-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N-ethyl-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
PubChem CID170511246
Molecular FormulaC20H33N3O3
Molecular Weight363.50 g/mol
Exact Mass363.25
IUPAC NameN-[2-(diethylamino)ethyl]-N-ethyl-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
SMILESCCN(CC)CCN(CC)C(=O)c1c(C)cc(C2CCCNC2)oc1=O
InChIInChI=1S/C20H33N3O3/c1-5-22(6-2)11-12-23(7-3)19(24)18-15(4)13-17(26-20(18)25)16-9-8-10-21-14-16/h13,16,21H,5-12,14H2,1-4H3
InChIKeyQPQYACCDOXVVRA-UHFFFAOYSA-N
XLogP2.22
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-[2-(4-fluorophenoxy)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170502410
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride
CID 171710983
3-(6,6-difluoro-3-azabicyclo[3.1.0]hexane-3-carbonyl)-4-methyl-6-piperidin-3-ylpyran-2-one
CID 170505244
4-methyl-3-[4-(2-methylprop-2-enyl)piperazine-1-carbonyl]-6-piperidin-3-ylpyran-2-one
CID 170510204
N-[2-(benzimidazol-1-yl)ethyl]-N,4-dimethyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride
CID 171712694
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-(4-ethyl-2-pyridinyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170504297
N-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 171387824
N-[2-(3,5-dimethyl-2-pyridinyl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170507480
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-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 169412165
N-(4-butoxyphenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170510382

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N-ethyl-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-N-ethyl-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide (CID 170511246) is N-[2-(diethylamino)ethyl]-N-ethyl-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-ethyl-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N-ethyl-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide is CCN(CC)CCN(CC)C(=O)c1c(C)cc(C2CCCNC2)oc1=O.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N-ethyl-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide?
The InChIKey is QPQYACCDOXVVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3/c1-5-22(6-2)11-12-23(7-3)19(24)18-15(4)13-17(26-20(18)25)16-9-8-10-21-14-16/h13,16,21H,5-12,14H2,1-4H3.
What are the key properties of N-[2-(diethylamino)ethyl]-N-ethyl-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide?
N-[2-(diethylamino)ethyl]-N-ethyl-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide has a molecular weight of 363.50 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N-ethyl-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide is sourced from PubChem (CID 170511246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).