(6-chloropyrazin-2-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone

C12H16ClN3O2 — CID 103187237

IUPAC(6-chloropyrazin-2-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCCN(C(=O)c2cncc(Cl)n2)C1
InChIInChI=1S/C12H16ClN3O2/c1-18-8-9-3-2-4-16(7-9)12(17)10-5-14-6-11(13)15-10/h5-6,9H,2-4,7-8H2,1H3
InChIKeyNDALUVNFTXKNOV-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.63
Rot. Bonds3

About (6-chloropyrazin-2-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone

(6-chloropyrazin-2-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone (PubChem CID 103187237) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is (6-chloropyrazin-2-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloropyrazin-2-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone
PubChem CID103187237
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name(6-chloropyrazin-2-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCCN(C(=O)c2cncc(Cl)n2)C1
InChIInChI=1S/C12H16ClN3O2/c1-18-8-9-3-2-4-16(7-9)12(17)10-5-14-6-11(13)15-10/h5-6,9H,2-4,7-8H2,1H3
InChIKeyNDALUVNFTXKNOV-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-[3-(methoxymethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120685568
(2-chloro-6-methyl-4-pyridinyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 104954666
(6-chloropyrazin-2-yl)-(4-ethylpiperidin-1-yl)methanone
CID 106551174
3-[3-(methoxymethyl)piperidine-1-carbonyl]-1,2-oxazole-5-carboxylic acid
CID 107370092
(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 90505051
(6-chloropyrazin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 103186815
[3-(methoxymethyl)piperidin-1-yl]-[6-(propan-2-ylamino)-2-pyridinyl]methanone
CID 106589203
(3-ethylpiperidin-1-yl)-pyrazin-2-ylmethanone
CID 86981201
(4,5-dichloro-2-methoxyphenyl)-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 97221393
[3-(methoxymethyl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 90504931
1-[(3S)-3-[(6-chloropyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 95804488
[(3R)-3-(methoxymethyl)piperidin-1-yl]-[6-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanone
CID 28957540

Frequently Asked Questions

What is the IUPAC name of (6-chloropyrazin-2-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (6-chloropyrazin-2-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone (CID 103187237) is (6-chloropyrazin-2-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (6-chloropyrazin-2-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (6-chloropyrazin-2-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone is COCC1CCCN(C(=O)c2cncc(Cl)n2)C1.
What is the InChIKey of (6-chloropyrazin-2-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone?
The InChIKey is NDALUVNFTXKNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-18-8-9-3-2-4-16(7-9)12(17)10-5-14-6-11(13)15-10/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of (6-chloropyrazin-2-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone?
(6-chloropyrazin-2-yl)-[3-(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 (6-chloropyrazin-2-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 103187237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).