N-(2-tert-butylpyrimidin-5-yl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide

C16H23N7O — CID 75518851

IUPACN-(2-tert-butylpyrimidin-5-yl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
SMILESCC(C)(C)c1ncc(NC(=O)N2CCCCC2c2ncn[nH]2)cn1
InChIInChI=1S/C16H23N7O/c1-16(2,3)14-17-8-11(9-18-14)21-15(24)23-7-5-4-6-12(23)13-19-10-20-22-13/h8-10,12H,4-7H2,1-3H3,(H,21,24)(H,19,20,22)
InChIKeyPRAOAUKLSHCKRA-UHFFFAOYSA-N
MW329.41 g/mol
LogP2.65
Rot. Bonds2

About N-(2-tert-butylpyrimidin-5-yl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide

N-(2-tert-butylpyrimidin-5-yl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide (PubChem CID 75518851) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is N-(2-tert-butylpyrimidin-5-yl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylpyrimidin-5-yl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
PubChem CID75518851
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC NameN-(2-tert-butylpyrimidin-5-yl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
SMILESCC(C)(C)c1ncc(NC(=O)N2CCCCC2c2ncn[nH]2)cn1
InChIInChI=1S/C16H23N7O/c1-16(2,3)14-17-8-11(9-18-14)21-15(24)23-7-5-4-6-12(23)13-19-10-20-22-13/h8-10,12H,4-7H2,1-3H3,(H,21,24)(H,19,20,22)
InChIKeyPRAOAUKLSHCKRA-UHFFFAOYSA-N
XLogP2.65
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 75397898
(2,2,3,3-tetramethylcyclopropyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 128991556
(3-tert-butylcyclobutyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 128664958
1-[4-[2-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]phenyl]ethanone
CID 84594447
(2R)-N-benzyl-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 97346259
(2S)-N-(1-phenylpyrazol-3-yl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 97347741
N-[2-(5-methylthiophen-3-yl)-3-pyridinyl]-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 154736967
(1-tert-butyl-3-methylpyrazol-4-yl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 128993946
N-[[4-(difluoromethyl)phenyl]methyl]-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 138033852
(3S)-N-(2-tert-butylpyrimidin-5-yl)-3-hydroxypyrrolidine-1-carboxamide
CID 111431545
(2S)-1-acetyl-N-(2-tert-butylpyrimidin-5-yl)pyrrolidine-2-carboxamide
CID 97314578
3-(2-methoxyphenyl)-1-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]but-2-en-1-one
CID 136519751

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylpyrimidin-5-yl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2-tert-butylpyrimidin-5-yl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide (CID 75518851) is N-(2-tert-butylpyrimidin-5-yl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-tert-butylpyrimidin-5-yl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-tert-butylpyrimidin-5-yl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide is CC(C)(C)c1ncc(NC(=O)N2CCCCC2c2ncn[nH]2)cn1.
What is the InChIKey of N-(2-tert-butylpyrimidin-5-yl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The InChIKey is PRAOAUKLSHCKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O/c1-16(2,3)14-17-8-11(9-18-14)21-15(24)23-7-5-4-6-12(23)13-19-10-20-22-13/h8-10,12H,4-7H2,1-3H3,(H,21,24)(H,19,20,22).
What are the key properties of N-(2-tert-butylpyrimidin-5-yl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
N-(2-tert-butylpyrimidin-5-yl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide has a molecular weight of 329.41 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylpyrimidin-5-yl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 75518851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).