(2S)-2-methyl-N-(1-methylpiperidin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C16H28N4O — CID 95778785

IUPAC(2S)-2-methyl-N-(1-methylpiperidin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1C[C@H](C)C(=O)NC1CCN(C)CC1
InChIInChI=1S/C16H28N4O/c1-11(10-15-12(2)18-20(5)13(15)3)16(21)17-14-6-8-19(4)9-7-14/h11,14H,6-10H2,1-5H3,(H,17,21)/t11-/m0/s1
InChIKeyDEHGWZCXVGJDHE-NSHDSACASA-N
MW292.43 g/mol
LogP1.43
Rot. Bonds4

About (2S)-2-methyl-N-(1-methylpiperidin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

(2S)-2-methyl-N-(1-methylpiperidin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 95778785) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is (2S)-2-methyl-N-(1-methylpiperidin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-(1-methylpiperidin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID95778785
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name(2S)-2-methyl-N-(1-methylpiperidin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1C[C@H](C)C(=O)NC1CCN(C)CC1
InChIInChI=1S/C16H28N4O/c1-11(10-15-12(2)18-20(5)13(15)3)16(21)17-14-6-8-19(4)9-7-14/h11,14H,6-10H2,1-5H3,(H,17,21)/t11-/m0/s1
InChIKeyDEHGWZCXVGJDHE-NSHDSACASA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-methyl-N-(1-methylpiperidin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide 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

2-methyl-N-(3-methylpiperidin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 120555639
N-[2-(aminomethyl)cyclohexyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride
CID 119612567
2-cyclopropyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid
CID 119213844
2-methyl-N-(3-methylpiperidin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride
CID 120555638
(2R)-N-[(1S)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 97065139
3-methyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid
CID 119170294
4-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid
CID 119170957
4-methyl-4-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid
CID 119204397
(2R)-N'-[2-(1-adamantyl)acetyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide
CID 95777128
2-methyl-N-(3-piperazin-1-ylpropyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride
CID 119394606
(3R)-1-[(2S)-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 124692021
N-cyclohexyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 18129488

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-(1-methylpiperidin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of (2S)-2-methyl-N-(1-methylpiperidin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 95778785) is (2S)-2-methyl-N-(1-methylpiperidin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for (2S)-2-methyl-N-(1-methylpiperidin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for (2S)-2-methyl-N-(1-methylpiperidin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1C[C@H](C)C(=O)NC1CCN(C)CC1.
What is the InChIKey of (2S)-2-methyl-N-(1-methylpiperidin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is DEHGWZCXVGJDHE-NSHDSACASA-N. The full InChI is InChI=1S/C16H28N4O/c1-11(10-15-12(2)18-20(5)13(15)3)16(21)17-14-6-8-19(4)9-7-14/h11,14H,6-10H2,1-5H3,(H,17,21)/t11-/m0/s1.
What are the key properties of (2S)-2-methyl-N-(1-methylpiperidin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
(2S)-2-methyl-N-(1-methylpiperidin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 292.43 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-(1-methylpiperidin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 95778785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).