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

C13H19ClN4O — CID 107257835

IUPAC(5-chloropyrazin-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
SMILESCN(C)CC1CCN(C(=O)c2cnc(Cl)cn2)CC1
InChIInChI=1S/C13H19ClN4O/c1-17(2)9-10-3-5-18(6-4-10)13(19)11-7-16-12(14)8-15-11/h7-8,10H,3-6,9H2,1-2H3
InChIKeyUZWKERWKWIWGIR-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.54
Rot. Bonds3

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

(5-chloropyrazin-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone (PubChem CID 107257835) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is (5-chloropyrazin-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloropyrazin-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
PubChem CID107257835
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC Name(5-chloropyrazin-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
SMILESCN(C)CC1CCN(C(=O)c2cnc(Cl)cn2)CC1
InChIInChI=1S/C13H19ClN4O/c1-17(2)9-10-3-5-18(6-4-10)13(19)11-7-16-12(14)8-15-11/h7-8,10H,3-6,9H2,1-2H3
InChIKeyUZWKERWKWIWGIR-UHFFFAOYSA-N
XLogP1.54
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chloropyrazin-2-yl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone
CID 107257834
(5-chloropyrazin-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 113268061
(5-chloropyrazin-2-yl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 107257837
1-[4-(5-chloropyrazine-2-carbonyl)piperazin-1-yl]ethanone
CID 103803140
(5-chloropyrazin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 103803161
5-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide
CID 113265016
ethyl 1-(5-chloropyrazine-2-carbonyl)piperidine-4-carboxylate
CID 103803169
(5-chloropyrazin-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 103817134
N-[1-(5-chloropyrazine-2-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 107248671
2-[4-(5-chloropyrazine-2-carbonyl)piperazin-1-yl]propanoic acid
CID 107371501
[5-chloro-6-(methylamino)-3-pyridinyl]-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 62181222
(5-amino-2-pyridinyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 81310117

Frequently Asked Questions

What is the IUPAC name of (5-chloropyrazin-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone?
The IUPAC name of (5-chloropyrazin-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone (CID 107257835) is (5-chloropyrazin-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-chloropyrazin-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (5-chloropyrazin-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone is CN(C)CC1CCN(C(=O)c2cnc(Cl)cn2)CC1.
What is the InChIKey of (5-chloropyrazin-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone?
The InChIKey is UZWKERWKWIWGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c1-17(2)9-10-3-5-18(6-4-10)13(19)11-7-16-12(14)8-15-11/h7-8,10H,3-6,9H2,1-2H3.
What are the key properties of (5-chloropyrazin-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone?
(5-chloropyrazin-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone has a molecular weight of 282.77 g/mol, XLogP of 1.54, 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-[(dimethylamino)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 107257835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).