2-[1-tert-butyl-5-[[(2R)-1-methylpiperidin-2-yl]methyl]-1,2,4-triazol-3-yl]acetamide

C15H27N5O — CID 164637690

IUPAC2-[1-tert-butyl-5-[[(2R)-1-methylpiperidin-2-yl]methyl]-1,2,4-triazol-3-yl]acetamide
SMILESCN1CCCC[C@@H]1Cc1nc(CC(N)=O)nn1C(C)(C)C
InChIInChI=1S/C15H27N5O/c1-15(2,3)20-14(17-13(18-20)10-12(16)21)9-11-7-5-6-8-19(11)4/h11H,5-10H2,1-4H3,(H2,16,21)/t11-/m1/s1
InChIKeyWVXWLBFACPJUBZ-LLVKDONJSA-N
MW293.42 g/mol
LogP1.09
Rot. Bonds4

About 2-[1-tert-butyl-5-[[(2R)-1-methylpiperidin-2-yl]methyl]-1,2,4-triazol-3-yl]acetamide

2-[1-tert-butyl-5-[[(2R)-1-methylpiperidin-2-yl]methyl]-1,2,4-triazol-3-yl]acetamide (PubChem CID 164637690) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is 2-[1-tert-butyl-5-[[(2R)-1-methylpiperidin-2-yl]methyl]-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-tert-butyl-5-[[(2R)-1-methylpiperidin-2-yl]methyl]-1,2,4-triazol-3-yl]acetamide
PubChem CID164637690
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC Name2-[1-tert-butyl-5-[[(2R)-1-methylpiperidin-2-yl]methyl]-1,2,4-triazol-3-yl]acetamide
SMILESCN1CCCC[C@@H]1Cc1nc(CC(N)=O)nn1C(C)(C)C
InChIInChI=1S/C15H27N5O/c1-15(2,3)20-14(17-13(18-20)10-12(16)21)9-11-7-5-6-8-19(11)4/h11H,5-10H2,1-4H3,(H2,16,21)/t11-/m1/s1
InChIKeyWVXWLBFACPJUBZ-LLVKDONJSA-N
XLogP1.09
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-tert-butyl-5-[(2S)-2-morpholin-4-ylpropyl]-1,2,4-triazol-3-yl]acetamide
CID 164642555
3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-[2-methyl-1-(2-methylpiperidin-1-yl)propan-2-yl]propanamide
CID 46954614
2-{1-butyl-5-[1-(cyclopropylcarbonyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl}acetamide
CID 72845936
2-[1,5-Di(propan-2-yl)-1,2,4-triazol-3-yl]acetamide
CID 58204568
[3-[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-3-oxopropyl]urea
CID 72141928
2-{1-cyclohexyl-5-[3-(4-methylpiperazin-1-yl)butyl]-1H-1,2,4-triazol-3-yl}acetamide
CID 72900090
N-(2-{1-[(1,3-dimethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-2-yl}ethyl)acetamide
CID 91840405
N-(tert-butyl)-3-[3-(3-methyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanamide
CID 91844252
(2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-[2-methyl-1-[(2S)-2-methylpiperidin-1-yl]propan-2-yl]propanamide
CID 92564941
(2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-[2-methyl-1-[(2S)-2-methylpiperidin-1-yl]propan-2-yl]propanamide
CID 93239100
[3-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-3-oxopropyl]urea
CID 95750487
[3-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-3-oxopropyl]urea
CID 95750488

Frequently Asked Questions

What is the IUPAC name of 2-[1-tert-butyl-5-[[(2R)-1-methylpiperidin-2-yl]methyl]-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[1-tert-butyl-5-[[(2R)-1-methylpiperidin-2-yl]methyl]-1,2,4-triazol-3-yl]acetamide (CID 164637690) is 2-[1-tert-butyl-5-[[(2R)-1-methylpiperidin-2-yl]methyl]-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[1-tert-butyl-5-[[(2R)-1-methylpiperidin-2-yl]methyl]-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[1-tert-butyl-5-[[(2R)-1-methylpiperidin-2-yl]methyl]-1,2,4-triazol-3-yl]acetamide is CN1CCCC[C@@H]1Cc1nc(CC(N)=O)nn1C(C)(C)C.
What is the InChIKey of 2-[1-tert-butyl-5-[[(2R)-1-methylpiperidin-2-yl]methyl]-1,2,4-triazol-3-yl]acetamide?
The InChIKey is WVXWLBFACPJUBZ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H27N5O/c1-15(2,3)20-14(17-13(18-20)10-12(16)21)9-11-7-5-6-8-19(11)4/h11H,5-10H2,1-4H3,(H2,16,21)/t11-/m1/s1.
What are the key properties of 2-[1-tert-butyl-5-[[(2R)-1-methylpiperidin-2-yl]methyl]-1,2,4-triazol-3-yl]acetamide?
2-[1-tert-butyl-5-[[(2R)-1-methylpiperidin-2-yl]methyl]-1,2,4-triazol-3-yl]acetamide has a molecular weight of 293.42 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-tert-butyl-5-[[(2R)-1-methylpiperidin-2-yl]methyl]-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 164637690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).