[3-ethyl-4-(ethylamino)piperidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone

C16H28N4O — CID 102809881

IUPAC[3-ethyl-4-(ethylamino)piperidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
SMILESCCNC1CCN(C(=O)c2cn(C)nc2CC)CC1CC
InChIInChI=1S/C16H28N4O/c1-5-12-10-20(9-8-15(12)17-7-3)16(21)13-11-19(4)18-14(13)6-2/h11-12,15,17H,5-10H2,1-4H3
InChIKeyLMSWJWHJKOTXKO-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.83
Rot. Bonds5

About [3-ethyl-4-(ethylamino)piperidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone

[3-ethyl-4-(ethylamino)piperidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone (PubChem CID 102809881) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is [3-ethyl-4-(ethylamino)piperidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[3-ethyl-4-(ethylamino)piperidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
PubChem CID102809881
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name[3-ethyl-4-(ethylamino)piperidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
SMILESCCNC1CCN(C(=O)c2cn(C)nc2CC)CC1CC
InChIInChI=1S/C16H28N4O/c1-5-12-10-20(9-8-15(12)17-7-3)16(21)13-11-19(4)18-14(13)6-2/h11-12,15,17H,5-10H2,1-4H3
InChIKeyLMSWJWHJKOTXKO-UHFFFAOYSA-N
XLogP1.83
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-ethyl-4-(ethylamino)piperidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(ethylamino)-3-methylpiperidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 102809877
(1,3-dimethylpyrazol-4-yl)-[3-ethyl-4-(propylamino)piperidin-1-yl]methanone
CID 102801020
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 102811080
[3-ethyl-4-(ethylamino)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103115707
(1,5-dimethylpyrazol-4-yl)-[3-ethyl-4-(ethylamino)piperidin-1-yl]methanone
CID 114506616
(3-ethyl-1-methylpyrazol-4-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 103894434
(2,5-dihydroxyphenyl)-[3-ethyl-4-(ethylamino)piperidin-1-yl]methanone
CID 107721232
[3-(2-bromoethyl)pyrrolidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 102811396
[3-ethyl-4-(ethylamino)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 114506670
(3-ethyl-1-methylpyrazol-4-yl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 102810985
[3-ethyl-4-(ethylamino)piperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone
CID 114506842
(3-ethyl-1-methylpyrazol-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 104920830

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-4-(ethylamino)piperidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone?
The IUPAC name of [3-ethyl-4-(ethylamino)piperidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone (CID 102809881) is [3-ethyl-4-(ethylamino)piperidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [3-ethyl-4-(ethylamino)piperidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [3-ethyl-4-(ethylamino)piperidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone is CCNC1CCN(C(=O)c2cn(C)nc2CC)CC1CC.
What is the InChIKey of [3-ethyl-4-(ethylamino)piperidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone?
The InChIKey is LMSWJWHJKOTXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-12-10-20(9-8-15(12)17-7-3)16(21)13-11-19(4)18-14(13)6-2/h11-12,15,17H,5-10H2,1-4H3.
What are the key properties of [3-ethyl-4-(ethylamino)piperidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone?
[3-ethyl-4-(ethylamino)piperidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone has a molecular weight of 292.43 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-4-(ethylamino)piperidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 102809881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).