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

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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).