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

C16H21N5O2 — CID 124993641

IUPAC2-methoxy-1-[(3S)-3-[5-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC[C@H](c2cnc(-c3cc(C)[nH]n3)cn2)C1
InChIInChI=1S/C16H21N5O2/c1-11-6-13(20-19-11)15-8-17-14(7-18-15)12-4-3-5-21(9-12)16(22)10-23-2/h6-8,12H,3-5,9-10H2,1-2H3,(H,19,20)/t12-/m0/s1
InChIKeyPZBUAZSKYNTUCG-LBPRGKRZSA-N
MW315.38 g/mol
LogP1.53
Rot. Bonds4

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

2-methoxy-1-[(3S)-3-[5-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone (PubChem CID 124993641) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-methoxy-1-[(3S)-3-[5-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[(3S)-3-[5-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
PubChem CID124993641
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name2-methoxy-1-[(3S)-3-[5-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC[C@H](c2cnc(-c3cc(C)[nH]n3)cn2)C1
InChIInChI=1S/C16H21N5O2/c1-11-6-13(20-19-11)15-8-17-14(7-18-15)12-4-3-5-21(9-12)16(22)10-23-2/h6-8,12H,3-5,9-10H2,1-2H3,(H,19,20)/t12-/m0/s1
InChIKeyPZBUAZSKYNTUCG-LBPRGKRZSA-N
XLogP1.53
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[5-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110101486
2-methoxy-1-[2-[5-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 110101473
2-methoxy-1-[3-[5-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110256403
3-[5-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]pyrazin-2-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
CID 124968428
1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-(2-phenoxyethoxy)ethanone
CID 97004347
1-[(3S)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone
CID 125014709
1-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-methoxyethanone
CID 110254248
2-(2-methoxyphenyl)-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 96514522
(3,5-dimethoxy-4-methylphenyl)-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 96514461
1-[(3S)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-2-methoxyethanone
CID 95809586
2-[1-(2-methoxyacetyl)piperidin-3-yl]-4-methylpyrimidine-5-carboxamide
CID 110088774
2-methoxy-1-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 53192169

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[(3S)-3-[5-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[(3S)-3-[5-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone (CID 124993641) is 2-methoxy-1-[(3S)-3-[5-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[(3S)-3-[5-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[(3S)-3-[5-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone is COCC(=O)N1CCC[C@H](c2cnc(-c3cc(C)[nH]n3)cn2)C1.
What is the InChIKey of 2-methoxy-1-[(3S)-3-[5-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is PZBUAZSKYNTUCG-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-11-6-13(20-19-11)15-8-17-14(7-18-15)12-4-3-5-21(9-12)16(22)10-23-2/h6-8,12H,3-5,9-10H2,1-2H3,(H,19,20)/t12-/m0/s1.
What are the key properties of 2-methoxy-1-[(3S)-3-[5-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone?
2-methoxy-1-[(3S)-3-[5-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 315.38 g/mol, XLogP of 1.53, 4 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-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 124993641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).