2-methoxy-1-[(3S)-3-[[5-(1H-pyrazol-5-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone

C16H21N5O2 — CID 124973600

IUPAC2-methoxy-1-[(3S)-3-[[5-(1H-pyrazol-5-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC[C@@H](Cc2cnc(-c3ccn[nH]3)cn2)C1
InChIInChI=1S/C16H21N5O2/c1-23-11-16(22)21-6-2-3-12(10-21)7-13-8-18-15(9-17-13)14-4-5-19-20-14/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H,19,20)/t12-/m0/s1
InChIKeyKLBZJRJXYABHAU-LBPRGKRZSA-N
MW315.38 g/mol
LogP1.29
Rot. Bonds5

About 2-methoxy-1-[(3S)-3-[[5-(1H-pyrazol-5-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone

2-methoxy-1-[(3S)-3-[[5-(1H-pyrazol-5-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone (PubChem CID 124973600) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-methoxy-1-[(3S)-3-[[5-(1H-pyrazol-5-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[(3S)-3-[[5-(1H-pyrazol-5-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
PubChem CID124973600
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name2-methoxy-1-[(3S)-3-[[5-(1H-pyrazol-5-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC[C@@H](Cc2cnc(-c3ccn[nH]3)cn2)C1
InChIInChI=1S/C16H21N5O2/c1-23-11-16(22)21-6-2-3-12(10-21)7-13-8-18-15(9-17-13)14-4-5-19-20-14/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H,19,20)/t12-/m0/s1
InChIKeyKLBZJRJXYABHAU-LBPRGKRZSA-N
XLogP1.29
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-1-[(3S)-3-[[5-(1H-pyrazol-5-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

2-methoxy-1-[3-[[5-(1H-pyrazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 110101383
2-methoxy-1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 125022006
2-methoxy-1-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone
CID 124984345
5-[5-[[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]methyl]pyrazin-2-yl]pyridine-3-carboxylic acid
CID 125013381
1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 124958196
2-(4-methoxyphenoxy)-1-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 110106487
2-(4-methoxyphenoxy)-1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 125014143
1-[(3R)-3-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 125002279
2-cyclohexyl-1-[(3S)-3-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 125004635
4-oxo-4-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]butanamide
CID 155790566
N-[3-oxo-3-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]propyl]acetamide
CID 155790759
3-methoxy-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one
CID 95845204

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[(3S)-3-[[5-(1H-pyrazol-5-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[(3S)-3-[[5-(1H-pyrazol-5-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone (CID 124973600) is 2-methoxy-1-[(3S)-3-[[5-(1H-pyrazol-5-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[(3S)-3-[[5-(1H-pyrazol-5-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[(3S)-3-[[5-(1H-pyrazol-5-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone is COCC(=O)N1CCC[C@@H](Cc2cnc(-c3ccn[nH]3)cn2)C1.
What is the InChIKey of 2-methoxy-1-[(3S)-3-[[5-(1H-pyrazol-5-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone?
The InChIKey is KLBZJRJXYABHAU-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-23-11-16(22)21-6-2-3-12(10-21)7-13-8-18-15(9-17-13)14-4-5-19-20-14/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H,19,20)/t12-/m0/s1.
What are the key properties of 2-methoxy-1-[(3S)-3-[[5-(1H-pyrazol-5-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone?
2-methoxy-1-[(3S)-3-[[5-(1H-pyrazol-5-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone has a molecular weight of 315.38 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[(3S)-3-[[5-(1H-pyrazol-5-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 124973600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).