4-[2-(diethylamino)-2-oxoethyl]-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide

C16H28N6O2 — CID 60565258

IUPAC4-[2-(diethylamino)-2-oxoethyl]-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)Nc2cc(C)nn2C)CC1
InChIInChI=1S/C16H28N6O2/c1-5-21(6-2)15(23)12-20-7-9-22(10-8-20)16(24)17-14-11-13(3)18-19(14)4/h11H,5-10,12H2,1-4H3,(H,17,24)
InChIKeyCKVKPTLTEFPPOJ-UHFFFAOYSA-N
MW336.44 g/mol
LogP0.75
Rot. Bonds5

About 4-[2-(diethylamino)-2-oxoethyl]-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide

4-[2-(diethylamino)-2-oxoethyl]-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide (PubChem CID 60565258) has the molecular formula C16H28N6O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-[2-(diethylamino)-2-oxoethyl]-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(diethylamino)-2-oxoethyl]-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide
PubChem CID60565258
Molecular FormulaC16H28N6O2
Molecular Weight336.44 g/mol
Exact Mass336.23
IUPAC Name4-[2-(diethylamino)-2-oxoethyl]-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)Nc2cc(C)nn2C)CC1
InChIInChI=1S/C16H28N6O2/c1-5-21(6-2)15(23)12-20-7-9-22(10-8-20)16(24)17-14-11-13(3)18-19(14)4/h11H,5-10,12H2,1-4H3,(H,17,24)
InChIKeyCKVKPTLTEFPPOJ-UHFFFAOYSA-N
XLogP0.75
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 36800258
2-(4-acetylpiperazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 36800103
4-[(4-chlorophenyl)methyl]-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide
CID 138041503
N-(2,5-dimethylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 72843451
4-[2-(diethylamino)-2-oxoethyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,4-diazepane-1-carboxamide
CID 86999458
N-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 36801870
2-[4,7-bis[2-(diethylamino)-2-oxoethyl]-1,4,7-triazonan-1-yl]-N,N-diethylacetamide
CID 14434735
2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 169215788
4-[2-(diethylamino)-2-oxoethyl]-N-(2-methoxy-3-pyridinyl)piperazine-1-carboxamide
CID 56817760
4-[2-(diethylamino)-2-oxoethyl]-N-(2,3-dihydro-1H-inden-5-yl)-1,4-diazepane-1-carboxamide
CID 86987417
N-(2-tert-butyl-5-methylpyrazol-3-yl)-4-propyl-1,4-diazepane-1-carboxamide
CID 71880859
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide
CID 55695335

Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylamino)-2-oxoethyl]-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide?
The IUPAC name of 4-[2-(diethylamino)-2-oxoethyl]-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide (CID 60565258) is 4-[2-(diethylamino)-2-oxoethyl]-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(diethylamino)-2-oxoethyl]-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(diethylamino)-2-oxoethyl]-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide is CCN(CC)C(=O)CN1CCN(C(=O)Nc2cc(C)nn2C)CC1.
What is the InChIKey of 4-[2-(diethylamino)-2-oxoethyl]-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide?
The InChIKey is CKVKPTLTEFPPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6O2/c1-5-21(6-2)15(23)12-20-7-9-22(10-8-20)16(24)17-14-11-13(3)18-19(14)4/h11H,5-10,12H2,1-4H3,(H,17,24).
What are the key properties of 4-[2-(diethylamino)-2-oxoethyl]-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide?
4-[2-(diethylamino)-2-oxoethyl]-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylamino)-2-oxoethyl]-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 60565258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).