2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(3-methyl-2-pyridinyl)methyl]acetamide

C18H28N4O2 — CID 45210398

IUPAC2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(3-methyl-2-pyridinyl)methyl]acetamide
SMILESCc1cccnc1CNC(=O)CC1C(=O)NCCN1CC(C)(C)C
InChIInChI=1S/C18H28N4O2/c1-13-6-5-7-19-14(13)11-21-16(23)10-15-17(24)20-8-9-22(15)12-18(2,3)4/h5-7,15H,8-12H2,1-4H3,(H,20,24)(H,21,23)
InChIKeyBSTATBJJXYZGGQ-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.24
Rot. Bonds5

About 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(3-methyl-2-pyridinyl)methyl]acetamide

2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(3-methyl-2-pyridinyl)methyl]acetamide (PubChem CID 45210398) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(3-methyl-2-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(3-methyl-2-pyridinyl)methyl]acetamide
PubChem CID45210398
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(3-methyl-2-pyridinyl)methyl]acetamide
SMILESCc1cccnc1CNC(=O)CC1C(=O)NCCN1CC(C)(C)C
InChIInChI=1S/C18H28N4O2/c1-13-6-5-7-19-14(13)11-21-16(23)10-15-17(24)20-8-9-22(15)12-18(2,3)4/h5-7,15H,8-12H2,1-4H3,(H,20,24)(H,21,23)
InChIKeyBSTATBJJXYZGGQ-UHFFFAOYSA-N
XLogP1.24
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(3-methyl-2-pyridinyl)methyl]acetamide?
The IUPAC name of 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(3-methyl-2-pyridinyl)methyl]acetamide (CID 45210398) is 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(3-methyl-2-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(3-methyl-2-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(3-methyl-2-pyridinyl)methyl]acetamide is Cc1cccnc1CNC(=O)CC1C(=O)NCCN1CC(C)(C)C.
What is the InChIKey of 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(3-methyl-2-pyridinyl)methyl]acetamide?
The InChIKey is BSTATBJJXYZGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-13-6-5-7-19-14(13)11-21-16(23)10-15-17(24)20-8-9-22(15)12-18(2,3)4/h5-7,15H,8-12H2,1-4H3,(H,20,24)(H,21,23).
What are the key properties of 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(3-methyl-2-pyridinyl)methyl]acetamide?
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(3-methyl-2-pyridinyl)methyl]acetamide has a molecular weight of 332.45 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(3-methyl-2-pyridinyl)methyl]acetamide is sourced from PubChem (CID 45210398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).