[3-ethyl-4-(ethylamino)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone

C16H28N4O — CID 114506670

IUPAC[3-ethyl-4-(ethylamino)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCCNC1CCN(C(=O)c2c(C)nn(C)c2C)CC1CC
InChIInChI=1S/C16H28N4O/c1-6-13-10-20(9-8-14(13)17-7-2)16(21)15-11(3)18-19(5)12(15)4/h13-14,17H,6-10H2,1-5H3
InChIKeyWKDFVUKYCVMWQQ-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.89
Rot. Bonds4

About [3-ethyl-4-(ethylamino)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone

[3-ethyl-4-(ethylamino)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone (PubChem CID 114506670) 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]-(1,3,5-trimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[3-ethyl-4-(ethylamino)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
PubChem CID114506670
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name[3-ethyl-4-(ethylamino)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCCNC1CCN(C(=O)c2c(C)nn(C)c2C)CC1CC
InChIInChI=1S/C16H28N4O/c1-6-13-10-20(9-8-14(13)17-7-2)16(21)15-11(3)18-19(5)12(15)4/h13-14,17H,6-10H2,1-5H3
InChIKeyWKDFVUKYCVMWQQ-UHFFFAOYSA-N
XLogP1.89
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-ethyl-4-(ethylamino)piperidin-1-yl]-(1,3,5-trimethylpyrazol-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

(1,5-dimethylpyrazol-4-yl)-[3-ethyl-4-(ethylamino)piperidin-1-yl]methanone
CID 114506616
[3-ethyl-4-(ethylamino)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103115707
[3-ethyl-4-(ethylamino)piperidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 102809881
3,9-diazabicyclo[4.2.1]nonan-3-yl-(1,3,5-trimethylpyrazol-4-yl)methanone;hydrochloride
CID 119638383
(1,3-dimethylpyrazol-4-yl)-[3-ethyl-4-(propylamino)piperidin-1-yl]methanone
CID 102801020
ethyl (3R)-1-(1,3,5-trimethylpyrazole-4-carbonyl)piperidine-3-carboxylate
CID 81338794
ethyl (3S)-1-(1,3,5-trimethylpyrazole-4-carbonyl)piperidine-3-carboxylate
CID 81338391
[(3R)-3-methylpiperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 81427482
(2,5-dihydroxyphenyl)-[3-ethyl-4-(ethylamino)piperidin-1-yl]methanone
CID 107721232
[(4aS,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 129483467
[3-ethyl-4-(ethylamino)piperidin-1-yl]-(furan-2-yl)methanone
CID 114506827
[3-ethyl-4-(ethylamino)piperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone
CID 114506842

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-4-(ethylamino)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The IUPAC name of [3-ethyl-4-(ethylamino)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone (CID 114506670) is [3-ethyl-4-(ethylamino)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone.
What is the SMILES notation for [3-ethyl-4-(ethylamino)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The canonical SMILES for [3-ethyl-4-(ethylamino)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone is CCNC1CCN(C(=O)c2c(C)nn(C)c2C)CC1CC.
What is the InChIKey of [3-ethyl-4-(ethylamino)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The InChIKey is WKDFVUKYCVMWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-6-13-10-20(9-8-14(13)17-7-2)16(21)15-11(3)18-19(5)12(15)4/h13-14,17H,6-10H2,1-5H3.
What are the key properties of [3-ethyl-4-(ethylamino)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
[3-ethyl-4-(ethylamino)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone has a molecular weight of 292.43 g/mol, XLogP of 1.89, 4 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]-(1,3,5-trimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 114506670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).