N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide

C20H29N5O — CID 95123399

IUPACN-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
SMILESCC[C@H](C)c1ccc(NC(=O)CN2CCC(c3nncn3C)CC2)cc1
InChIInChI=1S/C20H29N5O/c1-4-15(2)16-5-7-18(8-6-16)22-19(26)13-25-11-9-17(10-12-25)20-23-21-14-24(20)3/h5-8,14-15,17H,4,9-13H2,1-3H3,(H,22,26)/t15-/m0/s1
InChIKeyNKZWQPHPUPMTKK-HNNXBMFYSA-N
MW355.49 g/mol
LogP3.15
Rot. Bonds6

About N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide

N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide (PubChem CID 95123399) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
PubChem CID95123399
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC NameN-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
SMILESCC[C@H](C)c1ccc(NC(=O)CN2CCC(c3nncn3C)CC2)cc1
InChIInChI=1S/C20H29N5O/c1-4-15(2)16-5-7-18(8-6-16)22-19(26)13-25-11-9-17(10-12-25)20-23-21-14-24(20)3/h5-8,14-15,17H,4,9-13H2,1-3H3,(H,22,26)/t15-/m0/s1
InChIKeyNKZWQPHPUPMTKK-HNNXBMFYSA-N
XLogP3.15
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide with MolForge

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Related Compounds

N-(4-butan-2-ylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 111113960
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 112834941
N-[4-[(2S)-butan-2-yl]phenyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2653101
2-(4-hydroxypiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 39902284
N-(4-butan-2-ylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 3545581
N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 9259822
N-[4-[(2R)-butan-2-yl]phenyl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 8993890
N-(4-butan-2-ylphenyl)-2-[4-(1H-1,2,4-triazole-5-carbonyl)piperazin-1-yl]acetamide
CID 50982416
2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-[(2S)-butan-2-yl]phenyl]acetamide
CID 7989157
2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-[(2R)-butan-2-yl]phenyl]acetamide
CID 7989156
N-(4-propan-2-ylphenyl)-2-(4-quinazolin-4-ylpiperidin-1-yl)acetamide
CID 58770643
N-[4-[(2S)-butan-2-yl]phenyl]-2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)acetamide
CID 124758025

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide (CID 95123399) is N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide is CC[C@H](C)c1ccc(NC(=O)CN2CCC(c3nncn3C)CC2)cc1.
What is the InChIKey of N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide?
The InChIKey is NKZWQPHPUPMTKK-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-4-15(2)16-5-7-18(8-6-16)22-19(26)13-25-11-9-17(10-12-25)20-23-21-14-24(20)3/h5-8,14-15,17H,4,9-13H2,1-3H3,(H,22,26)/t15-/m0/s1.
What are the key properties of N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide?
N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide has a molecular weight of 355.49 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 95123399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).