(2S)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide

C19H27N5O — CID 96997613

IUPAC(2S)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide
SMILESCCn1cnnc1C1CCN([C@@H](C)C(=O)Nc2ccccc2C)CC1
InChIInChI=1S/C19H27N5O/c1-4-23-13-20-22-18(23)16-9-11-24(12-10-16)15(3)19(25)21-17-8-6-5-7-14(17)2/h5-8,13,15-16H,4,9-12H2,1-3H3,(H,21,25)/t15-/m0/s1
InChIKeyDWTKTKZBGUQMSM-HNNXBMFYSA-N
MW341.46 g/mol
LogP2.81
Rot. Bonds5

About (2S)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide

(2S)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide (PubChem CID 96997613) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is (2S)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide
PubChem CID96997613
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name(2S)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide
SMILESCCn1cnnc1C1CCN([C@@H](C)C(=O)Nc2ccccc2C)CC1
InChIInChI=1S/C19H27N5O/c1-4-23-13-20-22-18(23)16-9-11-24(12-10-16)15(3)19(25)21-17-8-6-5-7-14(17)2/h5-8,13,15-16H,4,9-12H2,1-3H3,(H,21,25)/t15-/m0/s1
InChIKeyDWTKTKZBGUQMSM-HNNXBMFYSA-N
XLogP2.81
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(2-methylphenyl)-2-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propanamide
CID 97256783
2-(4-acetylpiperazin-1-yl)-N-(2-methylphenyl)propanamide
CID 51167865
(2R)-N-(2-methylphenyl)-2-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propanamide
CID 129397528
tert-butyl N-[1-[1-(2-methylanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate
CID 60513191
2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 136515167
N-(2-ethyl-6-methylphenyl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 75443272
(2S)-2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)propanamide
CID 30736001
(2S)-N-(2-methylphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]propanamide
CID 92513883
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide
CID 46558770
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide
CID 46444293
[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 56824322
1-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-hydroxy-2-phenylethanone
CID 111538179

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide?
The IUPAC name of (2S)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide (CID 96997613) is (2S)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide.
What is the SMILES notation for (2S)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide?
The canonical SMILES for (2S)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide is CCn1cnnc1C1CCN([C@@H](C)C(=O)Nc2ccccc2C)CC1.
What is the InChIKey of (2S)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide?
The InChIKey is DWTKTKZBGUQMSM-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-4-23-13-20-22-18(23)16-9-11-24(12-10-16)15(3)19(25)21-17-8-6-5-7-14(17)2/h5-8,13,15-16H,4,9-12H2,1-3H3,(H,21,25)/t15-/m0/s1.
What are the key properties of (2S)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide?
(2S)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide has a molecular weight of 341.46 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 96997613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).