(5-chloropyrazin-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone

C12H16ClN3O2 — CID 113268061

IUPAC(5-chloropyrazin-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)c2cnc(Cl)cn2)CC1
InChIInChI=1S/C12H16ClN3O2/c1-18-8-9-2-4-16(5-3-9)12(17)10-6-15-11(13)7-14-10/h6-7,9H,2-5,8H2,1H3
InChIKeyONNWGDCMSUDFIC-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.63
Rot. Bonds3

About (5-chloropyrazin-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone

(5-chloropyrazin-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone (PubChem CID 113268061) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is (5-chloropyrazin-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloropyrazin-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
PubChem CID113268061
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name(5-chloropyrazin-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)c2cnc(Cl)cn2)CC1
InChIInChI=1S/C12H16ClN3O2/c1-18-8-9-2-4-16(5-3-9)12(17)10-6-15-11(13)7-14-10/h6-7,9H,2-5,8H2,1H3
InChIKeyONNWGDCMSUDFIC-UHFFFAOYSA-N
XLogP1.63
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chloropyrazin-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 107257835
(5-chloropyrazin-2-yl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone
CID 107257834
(5-chloropyrazin-2-yl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 107257837
1-[4-(5-chloropyrazine-2-carbonyl)piperazin-1-yl]ethanone
CID 103803140
ethyl 1-(5-chloropyrazine-2-carbonyl)piperidine-4-carboxylate
CID 103803169
6-[4-(methoxymethyl)piperidine-1-carbonyl]pyridine-3-carbothioamide
CID 63980352
(2-chloro-5-nitro-4-pyridinyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 103733728
5-[3-(methoxymethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120685568
(5-chloropyrazin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 103803161
(2-amino-1,3-thiazol-4-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63977856
6-[3-(methoxymethyl)pyrrolidine-1-carbonyl]pyridine-3-carbonitrile
CID 64598709
methyl 4-[4-(methoxymethyl)piperidine-1-carbonyl]benzoate
CID 121091427

Frequently Asked Questions

What is the IUPAC name of (5-chloropyrazin-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-chloropyrazin-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone (CID 113268061) is (5-chloropyrazin-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-chloropyrazin-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-chloropyrazin-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone is COCC1CCN(C(=O)c2cnc(Cl)cn2)CC1.
What is the InChIKey of (5-chloropyrazin-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone?
The InChIKey is ONNWGDCMSUDFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-18-8-9-2-4-16(5-3-9)12(17)10-6-15-11(13)7-14-10/h6-7,9H,2-5,8H2,1H3.
What are the key properties of (5-chloropyrazin-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone?
(5-chloropyrazin-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone has a molecular weight of 269.73 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloropyrazin-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 113268061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).