2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide

C22H33N5O2 — CID 17420309

IUPAC2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)n(C)n1
InChIInChI=1S/C22H33N5O2/c1-15-7-19(25(2)24-15)23-20(28)14-26-3-5-27(6-4-26)21(29)22-11-16-8-17(12-22)10-18(9-16)13-22/h7,16-18H,3-6,8-14H2,1-2H3,(H,23,28)
InChIKeyABJQDMUAKRITER-UHFFFAOYSA-N
MW399.54 g/mol
LogP2.03
Rot. Bonds4

About 2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide

2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide (PubChem CID 17420309) has the molecular formula C22H33N5O2 and a molecular weight of 399.54 g/mol. Its IUPAC name is 2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
PubChem CID17420309
Molecular FormulaC22H33N5O2
Molecular Weight399.54 g/mol
Exact Mass399.26
IUPAC Name2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)n(C)n1
InChIInChI=1S/C22H33N5O2/c1-15-7-19(25(2)24-15)23-20(28)14-26-3-5-27(6-4-26)21(29)22-11-16-8-17(12-22)10-18(9-16)13-22/h7,16-18H,3-6,8-14H2,1-2H3,(H,23,28)
InChIKeyABJQDMUAKRITER-UHFFFAOYSA-N
XLogP2.03
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide (CID 17420309) is 2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide is Cc1cc(NC(=O)CN2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)n(C)n1.
What is the InChIKey of 2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The InChIKey is ABJQDMUAKRITER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O2/c1-15-7-19(25(2)24-15)23-20(28)14-26-3-5-27(6-4-26)21(29)22-11-16-8-17(12-22)10-18(9-16)13-22/h7,16-18H,3-6,8-14H2,1-2H3,(H,23,28).
What are the key properties of 2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide has a molecular weight of 399.54 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide is sourced from PubChem (CID 17420309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).