2-methyl-1-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one

C17H25N7O — CID 124948587

IUPAC2-methyl-1-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
SMILESCNc1nccnc1C[C@H]1CCCN(C(=O)C(C)(C)n2cncn2)C1
InChIInChI=1S/C17H25N7O/c1-17(2,24-12-19-11-22-24)16(25)23-8-4-5-13(10-23)9-14-15(18-3)21-7-6-20-14/h6-7,11-13H,4-5,8-10H2,1-3H3,(H,18,21)/t13-/m1/s1
InChIKeyCNZNMMBBONIKCM-CYBMUJFWSA-N
MW343.44 g/mol
LogP1.33
Rot. Bonds5

About 2-methyl-1-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one

2-methyl-1-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one (PubChem CID 124948587) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is 2-methyl-1-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
PubChem CID124948587
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC Name2-methyl-1-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
SMILESCNc1nccnc1C[C@H]1CCCN(C(=O)C(C)(C)n2cncn2)C1
InChIInChI=1S/C17H25N7O/c1-17(2,24-12-19-11-22-24)16(25)23-8-4-5-13(10-23)9-14-15(18-3)21-7-6-20-14/h6-7,11-13H,4-5,8-10H2,1-3H3,(H,18,21)/t13-/m1/s1
InChIKeyCNZNMMBBONIKCM-CYBMUJFWSA-N
XLogP1.33
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

1-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 125021173
3-amino-1-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one
CID 110113301
2-methyl-1-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 127246429
2-methyl-1-(3-pyrazin-2-ylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 110259162
2-methyl-1-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 95829523
(4,4-difluorocyclohexyl)-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone
CID 110113321
[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 110113209
1-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 110119236
1-[(3S)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-4-pyrazol-1-ylbutan-1-one
CID 125012361
2-(2-fluorophenyl)-1-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 125003518
[4-(methoxymethyl)phenyl]-[(3S)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone
CID 124949764
[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 125008934

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one?
The IUPAC name of 2-methyl-1-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one (CID 124948587) is 2-methyl-1-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one is CNc1nccnc1C[C@H]1CCCN(C(=O)C(C)(C)n2cncn2)C1.
What is the InChIKey of 2-methyl-1-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one?
The InChIKey is CNZNMMBBONIKCM-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25N7O/c1-17(2,24-12-19-11-22-24)16(25)23-8-4-5-13(10-23)9-14-15(18-3)21-7-6-20-14/h6-7,11-13H,4-5,8-10H2,1-3H3,(H,18,21)/t13-/m1/s1.
What are the key properties of 2-methyl-1-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one?
2-methyl-1-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one has a molecular weight of 343.44 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one is sourced from PubChem (CID 124948587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).