3-(tert-butylamino)-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one

C15H27N5O — CID 60963143

IUPAC3-(tert-butylamino)-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one
SMILESCn1cnnc1C1CCCN(C(=O)CCNC(C)(C)C)C1
InChIInChI=1S/C15H27N5O/c1-15(2,3)16-8-7-13(21)20-9-5-6-12(10-20)14-18-17-11-19(14)4/h11-12,16H,5-10H2,1-4H3
InChIKeyYQVSVDRIDDNBPL-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.30
Rot. Bonds4

About 3-(tert-butylamino)-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one

3-(tert-butylamino)-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one (PubChem CID 60963143) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-(tert-butylamino)-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(tert-butylamino)-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one
PubChem CID60963143
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name3-(tert-butylamino)-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one
SMILESCn1cnnc1C1CCCN(C(=O)CCNC(C)(C)C)C1
InChIInChI=1S/C15H27N5O/c1-15(2,3)16-8-7-13(21)20-9-5-6-12(10-20)14-18-17-11-19(14)4/h11-12,16H,5-10H2,1-4H3
InChIKeyYQVSVDRIDDNBPL-UHFFFAOYSA-N
XLogP1.30
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(tert-butylamino)-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one (CID 60963143) is 3-(tert-butylamino)-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(tert-butylamino)-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(tert-butylamino)-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one is Cn1cnnc1C1CCCN(C(=O)CCNC(C)(C)C)C1.
What is the InChIKey of 3-(tert-butylamino)-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one?
The InChIKey is YQVSVDRIDDNBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-15(2,3)16-8-7-13(21)20-9-5-6-12(10-20)14-18-17-11-19(14)4/h11-12,16H,5-10H2,1-4H3.
What are the key properties of 3-(tert-butylamino)-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one?
3-(tert-butylamino)-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one has a molecular weight of 293.41 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 60963143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).