ethane;2-(1-pyrazin-2-ylpiperidin-4-yl)acetic acid

C13H21N3O2 — CID 170788496

IUPACethane;2-(1-pyrazin-2-ylpiperidin-4-yl)acetic acid
SMILESCC.O=C(O)CC1CCN(c2cnccn2)CC1
InChIInChI=1S/C11H15N3O2.C2H6/c15-11(16)7-9-1-5-14(6-2-9)10-8-12-3-4-13-10;1-2/h3-4,8-9H,1-2,5-7H2,(H,15,16);1-2H3
InChIKeyRVMGEHXSCNGCJV-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.19
Rot. Bonds3

About ethane;2-(1-pyrazin-2-ylpiperidin-4-yl)acetic acid

ethane;2-(1-pyrazin-2-ylpiperidin-4-yl)acetic acid (PubChem CID 170788496) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethane;2-(1-pyrazin-2-ylpiperidin-4-yl)acetic acid.

Molecular Properties

Compound Nameethane;2-(1-pyrazin-2-ylpiperidin-4-yl)acetic acid
PubChem CID170788496
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Nameethane;2-(1-pyrazin-2-ylpiperidin-4-yl)acetic acid
SMILESCC.O=C(O)CC1CCN(c2cnccn2)CC1
InChIInChI=1S/C11H15N3O2.C2H6/c15-11(16)7-9-1-5-14(6-2-9)10-8-12-3-4-13-10;1-2/h3-4,8-9H,1-2,5-7H2,(H,15,16);1-2H3
InChIKeyRVMGEHXSCNGCJV-UHFFFAOYSA-N
XLogP2.19
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Pyrazin-2-yl)piperidine-4-carboxylic acid
CID 1455310
Ethyl 1-(pyrazin-2-yl)piperidine-4-carboxylate
CID 2867731
Methyl 1-(2-pyrazinyl)-4-piperidinecarboxylate
CID 2766302
1-(Pyrazin-2-yl)piperidine-3-carboxylic acid
CID 16786441
1-(3-Aminopyrazin-2-yl)piperidine-4-carboxylic acid
CID 49837162
2-(1-Pyrazin-2-ylpiperidin-4-yl)acetic acid;2,2,2-trifluoroacetic acid
CID 66879709
[2-(1-Pyrazin-2-ylpiperidin-4-yl)acetyl] 2,2,2-trifluoroacetate
CID 87188465
4-Fluoro-1-pyrazin-2-ylpiperidine-4-carboxylic acid
CID 142475897
Ethyl 1-(pyrazin-2-yl)piperidine-3-carboxylate
CID 12185674
ethyl (3R)-1-pyrazin-2-ylpiperidine-3-carboxylate
CID 94561753
(3S)-8-[3-(dimethylamino)pyrazin-2-yl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95868218
3-[N-(propan-2-yl)-1-[1-(pyrazin-2-yl)piperidin-4-yl]formamido]propanoic acid
CID 120195480

Frequently Asked Questions

What is the IUPAC name of ethane;2-(1-pyrazin-2-ylpiperidin-4-yl)acetic acid?
The IUPAC name of ethane;2-(1-pyrazin-2-ylpiperidin-4-yl)acetic acid (CID 170788496) is ethane;2-(1-pyrazin-2-ylpiperidin-4-yl)acetic acid.
What is the SMILES notation for ethane;2-(1-pyrazin-2-ylpiperidin-4-yl)acetic acid?
The canonical SMILES for ethane;2-(1-pyrazin-2-ylpiperidin-4-yl)acetic acid is CC.O=C(O)CC1CCN(c2cnccn2)CC1.
What is the InChIKey of ethane;2-(1-pyrazin-2-ylpiperidin-4-yl)acetic acid?
The InChIKey is RVMGEHXSCNGCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2.C2H6/c15-11(16)7-9-1-5-14(6-2-9)10-8-12-3-4-13-10;1-2/h3-4,8-9H,1-2,5-7H2,(H,15,16);1-2H3.
What are the key properties of ethane;2-(1-pyrazin-2-ylpiperidin-4-yl)acetic acid?
ethane;2-(1-pyrazin-2-ylpiperidin-4-yl)acetic acid has a molecular weight of 251.33 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(1-pyrazin-2-ylpiperidin-4-yl)acetic acid is sourced from PubChem (CID 170788496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).