N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-(1,2,4-triazol-1-yl)butanamide

C15H21N7O — CID 99981987

IUPACN-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESO=C(CCCn1cncn1)N[C@@H]1CCCN(c2cnccn2)C1
InChIInChI=1S/C15H21N7O/c23-15(4-2-8-22-12-17-11-19-22)20-13-3-1-7-21(10-13)14-9-16-5-6-18-14/h5-6,9,11-13H,1-4,7-8,10H2,(H,20,23)/t13-/m1/s1
InChIKeyXWMAADQZTZJEMO-CYBMUJFWSA-N
MW315.38 g/mol
LogP0.63
Rot. Bonds6

About N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-(1,2,4-triazol-1-yl)butanamide

N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-(1,2,4-triazol-1-yl)butanamide (PubChem CID 99981987) has the molecular formula C15H21N7O and a molecular weight of 315.38 g/mol. Its IUPAC name is N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-(1,2,4-triazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-(1,2,4-triazol-1-yl)butanamide
PubChem CID99981987
Molecular FormulaC15H21N7O
Molecular Weight315.38 g/mol
Exact Mass315.18
IUPAC NameN-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESO=C(CCCn1cncn1)N[C@@H]1CCCN(c2cnccn2)C1
InChIInChI=1S/C15H21N7O/c23-15(4-2-8-22-12-17-11-19-22)20-13-3-1-7-21(10-13)14-9-16-5-6-18-14/h5-6,9,11-13H,1-4,7-8,10H2,(H,20,23)/t13-/m1/s1
InChIKeyXWMAADQZTZJEMO-CYBMUJFWSA-N
XLogP0.63
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide
CID 99971826
3-(2,4-difluorophenyl)-N-(1-pyrazin-2-ylpiperidin-3-yl)propanamide
CID 90648731
N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-4-(1,2,4-triazol-1-yl)butanamide
CID 42593228
2-(2,5-dioxoimidazolidin-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide
CID 77096885
N-(1-hydroxy-2-oxopiperidin-3-yl)-4-(1,2,4-triazol-1-yl)butanamide
CID 155937779
3-(1,3-benzodioxol-5-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)propanamide
CID 77087086
2-(2-oxoazepan-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide
CID 118782684
N-cyclooctyl-3-(1,2,4-triazol-1-yl)propanamide
CID 31336018
N-[(1S,2S)-2-hydroxycyclooctyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 154565061
(3S)-N-methyl-1-pyrazin-2-ylpiperidin-3-amine
CID 94476433
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 25378372
N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-pyrrolidin-1-ylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-(1,2,4-triazol-1-yl)butanamide?
The IUPAC name of N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-(1,2,4-triazol-1-yl)butanamide (CID 99981987) is N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-(1,2,4-triazol-1-yl)butanamide.
What is the SMILES notation for N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-(1,2,4-triazol-1-yl)butanamide?
The canonical SMILES for N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-(1,2,4-triazol-1-yl)butanamide is O=C(CCCn1cncn1)N[C@@H]1CCCN(c2cnccn2)C1.
What is the InChIKey of N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-(1,2,4-triazol-1-yl)butanamide?
The InChIKey is XWMAADQZTZJEMO-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21N7O/c23-15(4-2-8-22-12-17-11-19-22)20-13-3-1-7-21(10-13)14-9-16-5-6-18-14/h5-6,9,11-13H,1-4,7-8,10H2,(H,20,23)/t13-/m1/s1.
What are the key properties of N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-(1,2,4-triazol-1-yl)butanamide?
N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-(1,2,4-triazol-1-yl)butanamide has a molecular weight of 315.38 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-(1,2,4-triazol-1-yl)butanamide is sourced from PubChem (CID 99981987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).