2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-phenyl-N-propan-2-ylacetamide

C20H29N5O — CID 136515167

IUPAC2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
SMILESCCn1cnnc1C1CCN(CC(=O)N(c2ccccc2)C(C)C)CC1
InChIInChI=1S/C20H29N5O/c1-4-24-15-21-22-20(24)17-10-12-23(13-11-17)14-19(26)25(16(2)3)18-8-6-5-7-9-18/h5-9,15-17H,4,10-14H2,1-3H3
InChIKeyIUQGVYBVRBWVES-UHFFFAOYSA-N
MW355.49 g/mol
LogP2.92
Rot. Bonds6

About 2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-phenyl-N-propan-2-ylacetamide

2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-phenyl-N-propan-2-ylacetamide (PubChem CID 136515167) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
PubChem CID136515167
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
SMILESCCn1cnnc1C1CCN(CC(=O)N(c2ccccc2)C(C)C)CC1
InChIInChI=1S/C20H29N5O/c1-4-24-15-21-22-20(24)17-10-12-23(13-11-17)14-19(26)25(16(2)3)18-8-6-5-7-9-18/h5-9,15-17H,4,10-14H2,1-3H3
InChIKeyIUQGVYBVRBWVES-UHFFFAOYSA-N
XLogP2.92
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzyl(methyl)amino]-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 56779983
2-(3-hydroxyazetidin-1-yl)-N-phenyl-N-propan-2-ylacetamide
CID 63282516
1-(2-chlorophenyl)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanol
CID 111105326
[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone
CID 95271676
N-phenyl-2-(4-propanoyl-1,4-diazepan-1-yl)-N-propan-2-ylacetamide
CID 87021791
1-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-hydroxy-2-phenylethanone
CID 111538179
(2S)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide
CID 96997613
1-(2,6-difluorophenyl)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanol
CID 111105329
1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 111105319
[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 154747574
N-phenyl-N-propan-2-yl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 55462200
[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 56824322

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-phenyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-phenyl-N-propan-2-ylacetamide (CID 136515167) is 2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-phenyl-N-propan-2-ylacetamide is CCn1cnnc1C1CCN(CC(=O)N(c2ccccc2)C(C)C)CC1.
What is the InChIKey of 2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-phenyl-N-propan-2-ylacetamide?
The InChIKey is IUQGVYBVRBWVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-4-24-15-21-22-20(24)17-10-12-23(13-11-17)14-19(26)25(16(2)3)18-8-6-5-7-9-18/h5-9,15-17H,4,10-14H2,1-3H3.
What are the key properties of 2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-phenyl-N-propan-2-ylacetamide?
2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-phenyl-N-propan-2-ylacetamide has a molecular weight of 355.49 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 136515167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).