N-(1-tert-butylpiperidin-4-yl)-2H-triazole-4-carboxamide

C12H21N5O — CID 112733890

IUPACN-(1-tert-butylpiperidin-4-yl)-2H-triazole-4-carboxamide
SMILESCC(C)(C)N1CCC(NC(=O)c2cn[nH]n2)CC1
InChIInChI=1S/C12H21N5O/c1-12(2,3)17-6-4-9(5-7-17)14-11(18)10-8-13-16-15-10/h8-9H,4-7H2,1-3H3,(H,14,18)(H,13,15,16)
InChIKeyFCLNSVVHRUFAQJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.80
Rot. Bonds2

About N-(1-tert-butylpiperidin-4-yl)-2H-triazole-4-carboxamide

N-(1-tert-butylpiperidin-4-yl)-2H-triazole-4-carboxamide (PubChem CID 112733890) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(1-tert-butylpiperidin-4-yl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-tert-butylpiperidin-4-yl)-2H-triazole-4-carboxamide
PubChem CID112733890
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-(1-tert-butylpiperidin-4-yl)-2H-triazole-4-carboxamide
SMILESCC(C)(C)N1CCC(NC(=O)c2cn[nH]n2)CC1
InChIInChI=1S/C12H21N5O/c1-12(2,3)17-6-4-9(5-7-17)14-11(18)10-8-13-16-15-10/h8-9H,4-7H2,1-3H3,(H,14,18)(H,13,15,16)
InChIKeyFCLNSVVHRUFAQJ-UHFFFAOYSA-N
XLogP0.80
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2H-triazole-4-carboxamide
CID 112733260
N-(4-ethylcyclohexyl)-2H-triazole-4-carboxamide
CID 112733318
N-(1-cyclopropylpyrrolidin-3-yl)-2H-triazole-4-carboxamide
CID 47937761
4-(2H-triazole-4-carbonylamino)cyclohexane-1-carboxylic acid
CID 63283411
5-bromo-N-(1-tert-butylpiperidin-4-yl)pyridine-2-carboxamide
CID 62953534
N-(1-pyridin-2-ylpiperidin-4-yl)-2H-triazole-4-carboxamide
CID 112731973
N-(2-methylpiperidin-4-yl)-2H-triazole-4-carboxamide
CID 106995382
2-amino-N-(1-tert-butylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 62788760
N-[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide
CID 125159540
N-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-triazole-4-carboxamide
CID 74244989
N-(4-phenylcyclohexyl)-2H-triazole-4-carboxamide
CID 112733345
N-(1-tert-butylpiperidin-4-yl)benzamide
CID 61036493

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpiperidin-4-yl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(1-tert-butylpiperidin-4-yl)-2H-triazole-4-carboxamide (CID 112733890) is N-(1-tert-butylpiperidin-4-yl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(1-tert-butylpiperidin-4-yl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(1-tert-butylpiperidin-4-yl)-2H-triazole-4-carboxamide is CC(C)(C)N1CCC(NC(=O)c2cn[nH]n2)CC1.
What is the InChIKey of N-(1-tert-butylpiperidin-4-yl)-2H-triazole-4-carboxamide?
The InChIKey is FCLNSVVHRUFAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-12(2,3)17-6-4-9(5-7-17)14-11(18)10-8-13-16-15-10/h8-9H,4-7H2,1-3H3,(H,14,18)(H,13,15,16).
What are the key properties of N-(1-tert-butylpiperidin-4-yl)-2H-triazole-4-carboxamide?
N-(1-tert-butylpiperidin-4-yl)-2H-triazole-4-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpiperidin-4-yl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 112733890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).