2,2-dimethyl-N-[4-methyl-5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]thiophen-2-yl]propanamide

C22H34N4O3S — CID 39487620

IUPAC2,2-dimethyl-N-[4-methyl-5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]thiophen-2-yl]propanamide
SMILESCc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C22H34N4O3S/c1-16-14-17(23-21(29)22(2,3)4)30-19(16)20(28)26-12-10-24(11-13-26)15-18(27)25-8-6-5-7-9-25/h14H,5-13,15H2,1-4H3,(H,23,29)
InChIKeyGLIKFQYOUWEJGD-UHFFFAOYSA-N
MW434.61 g/mol
LogP2.81
Rot. Bonds4

About 2,2-dimethyl-N-[4-methyl-5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]thiophen-2-yl]propanamide

2,2-dimethyl-N-[4-methyl-5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]thiophen-2-yl]propanamide (PubChem CID 39487620) has the molecular formula C22H34N4O3S and a molecular weight of 434.61 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-methyl-5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]thiophen-2-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-methyl-5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]thiophen-2-yl]propanamide
PubChem CID39487620
Molecular FormulaC22H34N4O3S
Molecular Weight434.61 g/mol
Exact Mass434.24
IUPAC Name2,2-dimethyl-N-[4-methyl-5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]thiophen-2-yl]propanamide
SMILESCc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C22H34N4O3S/c1-16-14-17(23-21(29)22(2,3)4)30-19(16)20(28)26-12-10-24(11-13-26)15-18(27)25-8-6-5-7-9-25/h14H,5-13,15H2,1-4H3,(H,23,29)
InChIKeyGLIKFQYOUWEJGD-UHFFFAOYSA-N
XLogP2.81
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.61
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-methyl-5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]thiophen-2-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-methyl-5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]thiophen-2-yl]propanamide (CID 39487620) is 2,2-dimethyl-N-[4-methyl-5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]thiophen-2-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-methyl-5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]thiophen-2-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-methyl-5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]thiophen-2-yl]propanamide is Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CCN(CC(=O)N2CCCCC2)CC1.
What is the InChIKey of 2,2-dimethyl-N-[4-methyl-5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]thiophen-2-yl]propanamide?
The InChIKey is GLIKFQYOUWEJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O3S/c1-16-14-17(23-21(29)22(2,3)4)30-19(16)20(28)26-12-10-24(11-13-26)15-18(27)25-8-6-5-7-9-25/h14H,5-13,15H2,1-4H3,(H,23,29).
What are the key properties of 2,2-dimethyl-N-[4-methyl-5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]thiophen-2-yl]propanamide?
2,2-dimethyl-N-[4-methyl-5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]thiophen-2-yl]propanamide has a molecular weight of 434.61 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-methyl-5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]thiophen-2-yl]propanamide is sourced from PubChem (CID 39487620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).