2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]acetamide

C21H33N5O2 — CID 24791200

IUPAC2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]acetamide
SMILESCc1nc(CCNC(=O)CC2C(=O)NCCN2CC(C)(C)C)nc2c1CCC2
InChIInChI=1S/C21H33N5O2/c1-14-15-6-5-7-16(15)25-18(24-14)8-9-22-19(27)12-17-20(28)23-10-11-26(17)13-21(2,3)4/h17H,5-13H2,1-4H3,(H,22,27)(H,23,28)
InChIKeyWBNLIWGJAAOGIS-UHFFFAOYSA-N
MW387.53 g/mol
LogP1.17
Rot. Bonds6

About 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]acetamide

2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]acetamide (PubChem CID 24791200) has the molecular formula C21H33N5O2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]acetamide
PubChem CID24791200
Molecular FormulaC21H33N5O2
Molecular Weight387.53 g/mol
Exact Mass387.26
IUPAC Name2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]acetamide
SMILESCc1nc(CCNC(=O)CC2C(=O)NCCN2CC(C)(C)C)nc2c1CCC2
InChIInChI=1S/C21H33N5O2/c1-14-15-6-5-7-16(15)25-18(24-14)8-9-22-19(27)12-17-20(28)23-10-11-26(17)13-21(2,3)4/h17H,5-13H2,1-4H3,(H,22,27)(H,23,28)
InChIKeyWBNLIWGJAAOGIS-UHFFFAOYSA-N
XLogP1.17
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]acetamide?
The IUPAC name of 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]acetamide (CID 24791200) is 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]acetamide is Cc1nc(CCNC(=O)CC2C(=O)NCCN2CC(C)(C)C)nc2c1CCC2.
What is the InChIKey of 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]acetamide?
The InChIKey is WBNLIWGJAAOGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O2/c1-14-15-6-5-7-16(15)25-18(24-14)8-9-22-19(27)12-17-20(28)23-10-11-26(17)13-21(2,3)4/h17H,5-13H2,1-4H3,(H,22,27)(H,23,28).
What are the key properties of 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]acetamide?
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]acetamide has a molecular weight of 387.53 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]acetamide is sourced from PubChem (CID 24791200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).