5-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-1-(2-methoxyethyl)piperidin-2-one

C20H30N4O3 — CID 45192162

IUPAC5-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-1-(2-methoxyethyl)piperidin-2-one
SMILESCOCCN1CC(C(=O)N2CCN(c3cc(C)nc(C)c3)CC2)CCC1=O
InChIInChI=1S/C20H30N4O3/c1-15-12-18(13-16(2)21-15)22-6-8-23(9-7-22)20(26)17-4-5-19(25)24(14-17)10-11-27-3/h12-13,17H,4-11,14H2,1-3H3
InChIKeyJFFFRHCSXATWFQ-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.23
Rot. Bonds5

About 5-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-1-(2-methoxyethyl)piperidin-2-one

5-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-1-(2-methoxyethyl)piperidin-2-one (PubChem CID 45192162) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 5-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-1-(2-methoxyethyl)piperidin-2-one.

Molecular Properties

Compound Name5-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-1-(2-methoxyethyl)piperidin-2-one
PubChem CID45192162
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name5-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-1-(2-methoxyethyl)piperidin-2-one
SMILESCOCCN1CC(C(=O)N2CCN(c3cc(C)nc(C)c3)CC2)CCC1=O
InChIInChI=1S/C20H30N4O3/c1-15-12-18(13-16(2)21-15)22-6-8-23(9-7-22)20(26)17-4-5-19(25)24(14-17)10-11-27-3/h12-13,17H,4-11,14H2,1-3H3
InChIKeyJFFFRHCSXATWFQ-UHFFFAOYSA-N
XLogP1.23
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-1-(2-methoxyethyl)piperidin-2-one with MolForge

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Related Compounds

(5S)-5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)-1-(2-methoxyethyl)piperidin-2-one
CID 126431316
5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)-1-(2-methoxyethyl)piperidin-2-one
CID 119062976
4-[1-(2-methoxyethyl)-6-oxopiperidine-3-carbonyl]-1-propylpiperazin-2-one
CID 131918848
methyl 1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylate
CID 102569899
5-[4-(2-amino-6-methylpyrimidin-4-yl)piperazine-1-carbonyl]-1-ethylpiperidin-2-one
CID 70755456
(5S)-1-[2-(3-fluorophenyl)ethyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one
CID 26332109
1-(2-methoxyethyl)-5-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]piperidin-2-one
CID 165422259
1-(2-methoxyethyl)-5-(oxazinane-2-carbonyl)piperidin-2-one
CID 45242060
1-(2-methoxyethyl)-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 110346315
(5S)-5-(4-acetylpiperazine-1-carbonyl)-1-[2-(4-methoxyphenyl)ethyl]piperidin-2-one
CID 26334745
(4S)-1-(2-methoxyethyl)-4-[4-(2-methylphenyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 96576029
5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-1-(2-morpholin-4-ylethyl)piperidin-2-one
CID 45219929

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-1-(2-methoxyethyl)piperidin-2-one?
The IUPAC name of 5-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-1-(2-methoxyethyl)piperidin-2-one (CID 45192162) is 5-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-1-(2-methoxyethyl)piperidin-2-one.
What is the SMILES notation for 5-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-1-(2-methoxyethyl)piperidin-2-one?
The canonical SMILES for 5-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-1-(2-methoxyethyl)piperidin-2-one is COCCN1CC(C(=O)N2CCN(c3cc(C)nc(C)c3)CC2)CCC1=O.
What is the InChIKey of 5-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-1-(2-methoxyethyl)piperidin-2-one?
The InChIKey is JFFFRHCSXATWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-15-12-18(13-16(2)21-15)22-6-8-23(9-7-22)20(26)17-4-5-19(25)24(14-17)10-11-27-3/h12-13,17H,4-11,14H2,1-3H3.
What are the key properties of 5-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-1-(2-methoxyethyl)piperidin-2-one?
5-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-1-(2-methoxyethyl)piperidin-2-one has a molecular weight of 374.49 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-1-(2-methoxyethyl)piperidin-2-one is sourced from PubChem (CID 45192162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).